Metabolite N-desmethylzopiclone

Name

N-desmethylzopiclone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 374.782
Monoisotopic: 374.089416083

Chemical Formula

C₁₆H₁₅ClN₆O₃

InChI Key

CGSFZSTXVVJLIX-UHFFFAOYSA-N

InChI

InChI=1S/C16H15ClN6O3/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22/h1-4,9,15,18H,5-8H2

IUPAC Name

6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrrolo[3,4-b]pyrazin-5-yl piperazine-1-carboxylate

SMILES

ClC1=CN=C(C=C1)N1C(OC(=O)N2CCNCC2)C2=NC=CN=C2C1=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-000i-9221000000-bac00f00e0fd84e4b734
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-68d784d936ff7ba1a3b1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0119000000-2c3ff723e629f6f8e93e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-d122cdd94a781c6bf6e6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00l2-0591000000-88f8dd239288e4751b48
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-3957000000-f86d360fa3447b4c94ab
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-003s-6941000000-fb4fbbcc64ed8f1209b6

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	188.3160865	predicted	DarkChem Lite v0.1.0
[M-H]-	174.74913	predicted	DeepCCS 1.0 (2019)
[M+H]+	188.0404865	predicted	DarkChem Lite v0.1.0
[M+H]+	177.10713	predicted	DeepCCS 1.0 (2019)
[M+Na]+	188.2188865	predicted	DarkChem Lite v0.1.0
[M+Na]+	183.86778	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties