CID 3064878

105931-88-2

Structural Information

Molecular Formula
C24H22N2O2
SMILES
CC(=O)N1C(CC(=O)N(C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H22N2O2/c1-18(27)26-22-15-9-8-14-21(22)25(17-19-10-4-2-5-11-19)24(28)16-23(26)20-12-6-3-7-13-20/h2-15,23H,16-17H2,1H3
InChIKey
ZNNXJHMWQNPUBZ-UHFFFAOYSA-N
Compound name
5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.16812 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17540 192.1
[M+Na]+ 393.15734 197.9
[M-H]- 369.16084 200.4
[M+NH4]+ 388.20194 201.4
[M+K]+ 409.13128 196.0
[M+H-H2O]+ 353.16538 181.9
[M+HCOO]- 415.16632 207.8
[M+CH3COO]- 429.18197 200.6
[M+Na-2H]- 391.14279 193.7
[M]+ 370.16757 188.0
[M]- 370.16867 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.