CID 5279337

4-methoxy-n-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide

Structural Information

Molecular Formula
C24H18F3N3O3
SMILES
COC1=CC=C(C=C1)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C24H18F3N3O3/c1-33-17-12-8-15(9-13-17)22(31)30-21-23(32)28-19-5-3-2-4-18(19)20(29-21)14-6-10-16(11-7-14)24(25,26)27/h2-13,21H,1H3,(H,28,32)(H,30,31)
InChIKey
VOANUMCTPNPPRQ-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

453.13004 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.13732 204.5
[M+Na]+ 476.11926 211.3
[M-H]- 452.12276 208.9
[M+NH4]+ 471.16386 210.1
[M+K]+ 492.09320 209.8
[M+H-H2O]+ 436.12730 192.2
[M+HCOO]- 498.12824 216.9
[M+CH3COO]- 512.14389 211.2
[M+Na-2H]- 474.10471 206.5
[M]+ 453.12949 198.2
[M]- 453.13059 198.2
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.