Metabolite 7-acetamido-clonazepam

Name

7-acetamido-clonazepam

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

6431E305BB

CAS number

Not Available

Weight

Average: 327.77
Monoisotopic: 327.0774544

Chemical Formula

C₁₇H₁₄ClN₃O₂

InChI Key

CSSPKOOFFDJUJC-UHFFFAOYSA-N

InChI

InChI=1S/C17H14ClN3O2/c1-10(22)20-11-6-7-15-13(8-11)17(19-9-16(23)21-15)12-4-2-3-5-14(12)18/h2-8H,9H2,1H3,(H,20,22)(H,21,23)

IUPAC Name

N-[5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]acetamide

SMILES

CC(=O)NC1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-5886fbb31f71099b650b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0093000000-005ef40f0a9985b931e7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0149000000-d6fb2ebb5671048099ed
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ug3-0391000000-1c27291a4a1f119f424b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-2019000000-1addd9079ff1ab04603b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0007-5390000000-f2a66ec6dba2d6ac9bbe

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	165.37883	predicted	DeepCCS 1.0 (2019)
[M+H]+	167.73724	predicted	DeepCCS 1.0 (2019)
[M+Na]+	174.0908	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties