CID 5279120

N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-(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=C4C(F)(F)F
InChI
InChI=1S/C23H16F3N3O2/c24-23(25,26)17-12-6-4-10-15(17)21(30)29-20-22(31)27-18-13-7-5-11-16(18)19(28-20)14-8-2-1-3-9-14/h1-13,20H,(H,27,31)(H,29,30)
InChIKey
UUKMXYKPMJFDIU-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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

No literature data available for this compound.

Patent stripe

patents stripe