CID 5279165

N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C24H18F3N3O2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)CC4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C24H18F3N3O2/c25-24(26,27)17-12-10-15(11-13-17)14-20(31)29-22-23(32)28-19-9-5-4-8-18(19)21(30-22)16-6-2-1-3-7-16/h1-13,22H,14H2,(H,28,32)(H,29,31)
InChIKey
JEZKHSKIYOUOKL-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

437.1351 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.14238 200.9
[M+Na]+ 460.12432 207.2
[M-H]- 436.12782 204.9
[M+NH4]+ 455.16892 206.9
[M+K]+ 476.09826 204.5
[M+H-H2O]+ 420.13236 188.7
[M+HCOO]- 482.13330 213.2
[M+CH3COO]- 496.14895 207.5
[M+Na-2H]- 458.10977 203.5
[M]+ 437.13455 192.9
[M]- 437.13565 192.9
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

patents stripe