CID 2729103

70890-53-8

Structural Information

Molecular Formula
C17H15N3O2
SMILES
CC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C17H15N3O2/c1-11(21)18-16-17(22)19-14-10-6-5-9-13(14)15(20-16)12-7-3-2-4-8-12/h2-10,16H,1H3,(H,18,21)(H,19,22)
InChIKey
MMXSDWJOQSEPSM-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

28
Patents

293.11642 Da
Monoisotopic Mass

1.7
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