CID 78641

7-aminonitrazepam

Structural Information

Molecular Formula
C15H13N3O
SMILES
C1C(=O)NC2=C(C=C(C=C2)N)C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C15H13N3O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)
InChIKey
OYOUQHVDCKOOAL-UHFFFAOYSA-N
Compound name
7-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

50
Patents

251.10587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.113146 157.6
[M+Na]+ 274.095088 165.0
[M-H]- 250.098594 162.4
[M+NH4]+ 269.139693 171.1
[M+K]+ 290.069028 163.8
[M+H-H2O]+ 234.103130 149.4
[M+HCOO]- 296.104071 176.2
[M+CH3COO]- 310.119721 168.2
[M+Na-2H]- 272.080536 163.7
[M]+ 251.10532142 151.2
[M]- 251.10641858 151.2
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