CID 11524963

Chembl204619

Structural Information

Molecular Formula
C23H16F3N3O3
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC=CC=C4OC(F)(F)F
InChI
InChI=1S/C23H16F3N3O3/c24-23(25,26)32-18-13-7-5-11-16(18)21(30)29-20-22(31)27-17-12-6-4-10-15(17)19(28-20)14-8-2-1-3-9-14/h1-13,20H,(H,27,31)(H,29,30)
InChIKey
ZCTWLWSILUMISB-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-(trifluoromethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.11438 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.12166 199.4
[M+Na]+ 462.10360 205.8
[M-H]- 438.10710 203.6
[M+NH4]+ 457.14820 205.2
[M+K]+ 478.07754 204.2
[M+H-H2O]+ 422.11164 187.1
[M+HCOO]- 484.11258 212.1
[M+CH3COO]- 498.12823 206.2
[M+Na-2H]- 460.08905 202.6
[M]+ 439.11383 192.4
[M]- 439.11493 192.4
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

No patent data available for this compound.