CID 3072777

N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-n-phenylacetamide

Structural Information

Molecular Formula
C31H37F2N3O2
SMILES
CC(=O)N(CC(CN1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)O)C4=CC=CC=C4
InChI
InChI=1S/C31H37F2N3O2/c1-24(37)36(29-6-3-2-4-7-29)23-30(38)22-35-20-18-34(19-21-35)17-5-8-31(25-9-13-27(32)14-10-25)26-11-15-28(33)16-12-26/h2-4,6-7,9-16,30-31,38H,5,8,17-23H2,1H3
InChIKey
CVMXDGCSHBDZSA-UHFFFAOYSA-N
Compound name
N-[3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-2-hydroxypropyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

521.2854 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.29268 229.7
[M+Na]+ 544.27462 228.6
[M-H]- 520.27812 234.0
[M+NH4]+ 539.31922 230.4
[M+K]+ 560.24856 221.9
[M+H-H2O]+ 504.28266 213.8
[M+HCOO]- 566.28360 238.8
[M+CH3COO]- 580.29925 249.8
[M+Na-2H]- 542.26007 223.6
[M]+ 521.28485 223.6
[M]- 521.28595 223.6
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.