CID 3041007

53297-83-9

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]+ 386.078076 184.9
[M+Na]+ 408.060018 194.1
[M-H]- 384.063524 188.5
[M+NH4]+ 403.104623 195.5
[M+K]+ 424.033958 187.9
[M+H-H2O]+ 368.068060 174.3
[M+HCOO]- 430.069001 195.5
[M+CH3COO]- 444.084651 214.8
[M+Na-2H]- 406.045466 184.5
[M]+ 385.07025142 181.3
[M]- 385.07134858 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