CID 96190

7-acetamidonitrazepam

Structural Information

Molecular Formula
C17H15N3O2
SMILES
CC(=O)NC1=CC2=C(C=C1)NC(=O)CN=C2C3=CC=CC=C3
InChI
InChI=1S/C17H15N3O2/c1-11(21)19-13-7-8-15-14(9-13)17(18-10-16(22)20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKey
JHTJXLGLYZQIGI-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

293.11642 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 168.0
[M+Na]+ 316.10564 174.4
[M-H]- 292.10914 173.0
[M+NH4]+ 311.15024 179.9
[M+K]+ 332.07958 173.9
[M+H-H2O]+ 276.11368 159.4
[M+HCOO]- 338.11462 186.0
[M+CH3COO]- 352.13027 177.8
[M+Na-2H]- 314.09109 173.1
[M]+ 293.11587 163.1
[M]- 293.11697 163.1
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