CID 132398754

2172585-20-3

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 224.2
[M+Na]+ 584.18132 228.8
[M+NH4]+ 579.22592 224.2
[M+K]+ 600.15526 223.9
[M-H]- 560.18482 220.3
[M+Na-2H]- 582.16677 225.4
[M]+ 561.19155 223.5
[M]- 561.19265 223.5
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.