CID 3049851

1-piperazinecarboxamide, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-n-phenyl-

Structural Information

Molecular Formula
C24H30F3N5O
SMILES
C1CN(CCN1CCN2CCN(CC2)C(=O)NC3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C24H30F3N5O/c25-24(26,27)20-5-4-8-22(19-20)31-15-11-29(12-16-31)9-10-30-13-17-32(18-14-30)23(33)28-21-6-2-1-3-7-21/h1-8,19H,9-18H2,(H,28,33)
InChIKey
GDQKUPPFJPKYPT-UHFFFAOYSA-N
Compound name
N-phenyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.24023 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.24751 214.0
[M+Na]+ 484.22945 215.1
[M-H]- 460.23295 214.7
[M+NH4]+ 479.27405 214.9
[M+K]+ 500.20339 207.1
[M+H-H2O]+ 444.23749 197.0
[M+HCOO]- 506.23843 218.7
[M+CH3COO]- 520.25408 233.5
[M+Na-2H]- 482.21490 212.1
[M]+ 461.23968 201.3
[M]- 461.24078 201.3
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.