CID 1292895

401578-06-1

Structural Information

Molecular Formula
C25H24F3N3O
SMILES
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C25H24F3N3O/c26-25(27,28)21-12-7-13-22(18-21)29-24(32)31-16-14-30(15-17-31)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H,29,32)
InChIKey
PYGXDHNUEDDHOA-UHFFFAOYSA-N
Compound name
4-benzhydryl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

439.18713 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.19441 205.1
[M+Na]+ 462.17635 207.5
[M-H]- 438.17985 209.2
[M+NH4]+ 457.22095 209.5
[M+K]+ 478.15029 200.0
[M+H-H2O]+ 422.18439 189.7
[M+HCOO]- 484.18533 215.5
[M+CH3COO]- 498.20098 210.1
[M+Na-2H]- 460.16180 205.1
[M]+ 439.18658 194.9
[M]- 439.18768 194.9
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