CID 132398754

3-{4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl}-4-(2-methoxyethoxy)-n-methyl-n-propylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C25H31F4N3O5S
SMILES
CCCN(C)S(=O)(=O)C1=CC(=C(C=C1)OCCOC)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)C(F)(F)F
InChI
InChI=1S/C25H31F4N3O5S/c1-4-9-30(2)38(34,35)19-6-8-23(37-15-14-36-3)22(17-19)31-10-12-32(13-11-31)24(33)20-7-5-18(26)16-21(20)25(27,28)29/h5-8,16-17H,4,9-15H2,1-3H3
InChIKey
APBOJUDLWVHAIB-UHFFFAOYSA-N
Compound name
3-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(2-methoxyethoxy)-N-methyl-N-propylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

561.1921 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.19938 229.4
[M+Na]+ 584.18132 233.3
[M-H]- 560.18482 231.1
[M+NH4]+ 579.22592 231.1
[M+K]+ 600.15526 228.7
[M+H-H2O]+ 544.18936 214.9
[M+HCOO]- 606.19030 233.8
[M+CH3COO]- 620.20595 253.5
[M+Na-2H]- 582.16677 225.8
[M]+ 561.19155 229.8
[M]- 561.19265 229.8
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.