CID 5279148

5-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-1,3-dihydro-1,4-benzodiazepin-2-one

Structural Information

Molecular Formula
C23H18F3N3O
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NCC4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C23H18F3N3O/c24-23(25,26)17-12-10-15(11-13-17)14-27-21-22(30)28-19-9-5-4-8-18(19)20(29-21)16-6-2-1-3-7-16/h1-13,21,27H,14H2,(H,28,30)
InChIKey
NGVFRZVPYWQINC-UHFFFAOYSA-N
Compound name
5-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

409.1402 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.14748 195.2
[M+Na]+ 432.12942 202.1
[M-H]- 408.13292 199.2
[M+NH4]+ 427.17402 202.5
[M+K]+ 448.10336 198.5
[M+H-H2O]+ 392.13746 183.0
[M+HCOO]- 454.13840 208.3
[M+CH3COO]- 468.15405 202.3
[M+Na-2H]- 430.11487 199.0
[M]+ 409.13965 186.8
[M]- 409.14075 186.8
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