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]+ 371.175396 192.1
[M+Na]+ 393.157338 197.9
[M-H]- 369.160844 200.4
[M+NH4]+ 388.201943 201.4
[M+K]+ 409.131278 196.0
[M+H-H2O]+ 353.165380 181.9
[M+HCOO]- 415.166321 207.8
[M+CH3COO]- 429.181971 200.6
[M+Na-2H]- 391.142786 193.7
[M]+ 370.16757142 188.0
[M]- 370.16866858 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.