CID 54895

82608-07-9

Structural Information

Molecular Formula
C21H25F3N4O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C21H25F3N4O4S/c1-32-19-6-5-17(33(25,30)31)14-18(19)20(29)26-7-8-27-9-11-28(12-10-27)16-4-2-3-15(13-16)21(22,23)24/h2-6,13-14H,7-12H2,1H3,(H,26,29)(H2,25,30,31)
InChIKey
FESZBMLFBJDIDC-UHFFFAOYSA-N
Compound name
2-methoxy-5-sulfamoyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.15485 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.16213 205.2
[M+Na]+ 509.14407 210.5
[M+NH4]+ 504.18867 206.5
[M+K]+ 525.11801 206.0
[M-H]- 485.14757 203.1
[M+Na-2H]- 507.12952 208.3
[M]+ 486.15430 205.1
[M]- 486.15540 205.1
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.