Metabolite 7-amino-clonazepam

Name

7-amino-clonazepam

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

17D6640Q7Y

CAS number

Not Available

Weight

Average: 285.728
Monoisotopic: 285.066889728

Chemical Formula

C₁₅H₁₂ClN₃O

InChI Key

HEFRPWRJTGLSSV-UHFFFAOYSA-N

InChI

InChI=1S/C15H12ClN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20)

IUPAC Name

7-amino-5-(2-chlorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one

SMILES

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

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0a6r-0190000000-2862002017d0fbbc11e8
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-33da31150f322d0df8d0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-1040e51aacd5247bb59e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9080000000-74ad88e7838fcc6742bc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0k9f-0690000000-a951432352d58078ba98
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9080000000-a1590002404a0918cef1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001l-8980000000-296982b444297b57f1b4

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	168.8125365	predicted	DarkChem Lite v0.1.0
[M-H]-	156.17082	predicted	DeepCCS 1.0 (2019)
[M+H]+	168.9548365	predicted	DarkChem Lite v0.1.0
[M+H]+	158.55331	predicted	DeepCCS 1.0 (2019)
[M+Na]+	168.5914365	predicted	DarkChem Lite v0.1.0
[M+Na]+	164.62196	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties