CID 3050041

Gs 396

Structural Information

Molecular Formula
C16H15N3O4S
SMILES
CC1=CC=CC=C1N2CC(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C16H15N3O4S/c1-11-4-2-3-5-14(11)18-10-15(20)19(16(18)21)12-6-8-13(9-7-12)24(17,22)23/h2-9H,10H2,1H3,(H2,17,22,23)
InChIKey
JFYZEMSBUPZSJF-UHFFFAOYSA-N
Compound name
4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.07834 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08562 179.3
[M+Na]+ 368.06756 189.0
[M-H]- 344.07106 187.2
[M+NH4]+ 363.11216 191.7
[M+K]+ 384.04150 183.6
[M+H-H2O]+ 328.07560 171.3
[M+HCOO]- 390.07654 195.0
[M+CH3COO]- 404.09219 209.8
[M+Na-2H]- 366.05301 178.9
[M]+ 345.07779 180.5
[M]- 345.07889 180.5
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.