CID 335326

Nsc343965

Structural Information

Molecular Formula
C12H13N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2C=CN=C2C
InChI
InChI=1S/C12H13N3O3S/c1-9-3-5-11(6-4-9)19(17,18)14-12(16)15-8-7-13-10(15)2/h3-8H,1-2H3,(H,14,16)
InChIKey
DNFXJLRSBBGBFJ-UHFFFAOYSA-N
Compound name
2-methyl-N-(4-methylphenyl)sulfonylimidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.06775 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.075026 162.2
[M+Na]+ 302.056968 171.7
[M-H]- 278.060474 167.5
[M+NH4]+ 297.101573 177.8
[M+K]+ 318.030908 168.0
[M+H-H2O]+ 262.065010 154.8
[M+HCOO]- 324.065951 180.0
[M+CH3COO]- 338.081601 195.9
[M+Na-2H]- 300.042416 164.7
[M]+ 279.06720142 165.6
[M]- 279.06829858 165.6
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.