CID 5279110

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

Structural Information

Molecular Formula
C23H16F3N3O2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C23H16F3N3O2/c24-23(25,26)16-10-6-9-15(13-16)21(30)29-20-22(31)27-18-12-5-4-11-17(18)19(28-20)14-7-2-1-3-8-14/h1-13,20H,(H,27,31)(H,29,30)
InChIKey
ZKVDIQXCFGPNNV-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

423.11948 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.12676 196.7
[M+Na]+ 446.10870 203.4
[M-H]- 422.11220 200.9
[M+NH4]+ 441.15330 203.2
[M+K]+ 462.08264 200.9
[M+H-H2O]+ 406.11674 184.6
[M+HCOO]- 468.11768 209.3
[M+CH3COO]- 482.13333 203.7
[M+Na-2H]- 444.09415 199.7
[M]+ 423.11893 188.4
[M]- 423.12003 188.4
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