CID 3049852

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

Structural Information

Molecular Formula
C24H36F3N5O
SMILES
C1CCC(CC1)NC(=O)N2CCN(CC2)CCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C24H36F3N5O/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/h4-5,8,19,21H,1-3,6-7,9-18H2,(H,28,33)
InChIKey
CEBVURDTYNMVEC-UHFFFAOYSA-N
Compound name
N-cyclohexyl-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

467.2872 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.29448 217.6
[M+Na]+ 490.27642 215.6
[M-H]- 466.27992 217.0
[M+NH4]+ 485.32102 218.0
[M+K]+ 506.25036 208.5
[M+H-H2O]+ 450.28446 200.5
[M+HCOO]- 512.28540 218.0
[M+CH3COO]- 526.30105 234.7
[M+Na-2H]- 488.26187 212.5
[M]+ 467.28665 200.7
[M]- 467.28775 200.7
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.