CID 3041007

Gs 335

Structural Information

Molecular Formula
C16H14F3N3O3S
SMILES
C1C(=O)N(CN1C2=CC=CC=C2)C3=CC(=C(C=C3)S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C16H14F3N3O3S/c17-16(18,19)13-8-12(6-7-14(13)26(20,24)25)22-10-21(9-15(22)23)11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,20,24,25)
InChIKey
KTSMZDGURVZFRN-UHFFFAOYSA-N
Compound name
4-(5-oxo-3-phenylimidazolidin-1-yl)-2-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

385.0708 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07808 184.9
[M+Na]+ 408.06002 194.1
[M-H]- 384.06352 188.5
[M+NH4]+ 403.10462 195.5
[M+K]+ 424.03396 187.9
[M+H-H2O]+ 368.06806 174.3
[M+HCOO]- 430.06900 195.5
[M+CH3COO]- 444.08465 214.8
[M+Na-2H]- 406.04547 184.5
[M]+ 385.07025 181.3
[M]- 385.07135 181.3
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

patents stripe