CID 188298

7-aminoclonazepam

Structural Information

Molecular Formula
C15H12ClN3O
SMILES
C1C(=O)NC2=C(C=C(C=C2)N)C(=N1)C3=CC=CC=C3Cl
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)
InChIKey
HEFRPWRJTGLSSV-UHFFFAOYSA-N
Compound name
7-amino-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

159
Patents

285.0669 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07418 163.0
[M+Na]+ 308.05612 176.6
[M+NH4]+ 303.10072 170.5
[M+K]+ 324.03006 170.0
[M-H]- 284.05962 166.8
[M+Na-2H]- 306.04157 170.6
[M]+ 285.06635 166.3
[M]- 285.06745 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe