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 178.6
[M+Na]+ 368.06756 190.1
[M+NH4]+ 363.11216 183.9
[M+K]+ 384.04150 185.4
[M-H]- 344.07106 181.4
[M+Na-2H]- 366.05301 184.5
[M]+ 345.07779 181.2
[M]- 345.07889 181.2
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.