CID 32075

23771-12-2

Structural Information

Molecular Formula
C24H29F3N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C24H29F3N2O4/c1-31-21-14-17(15-22(32-2)23(21)33-3)20(30)8-5-9-28-10-12-29(13-11-28)19-7-4-6-18(16-19)24(25,26)27/h4,6-7,14-16H,5,8-13H2,1-3H3
InChIKey
FNJXPVAUOPIGOD-UHFFFAOYSA-N
Compound name
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.20795 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.21523 213.9
[M+Na]+ 489.19717 218.8
[M-H]- 465.20067 215.9
[M+NH4]+ 484.24177 218.9
[M+K]+ 505.17111 213.9
[M+H-H2O]+ 449.20521 199.6
[M+HCOO]- 511.20615 223.9
[M+CH3COO]- 525.22180 235.9
[M+Na-2H]- 487.18262 210.6
[M]+ 466.20740 212.8
[M]- 466.20850 212.8
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

No patent data available for this compound.