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]+ 280.07503 162.2
[M+Na]+ 302.05697 171.7
[M-H]- 278.06047 167.5
[M+NH4]+ 297.10157 177.8
[M+K]+ 318.03091 168.0
[M+H-H2O]+ 262.06501 154.8
[M+HCOO]- 324.06595 180.0
[M+CH3COO]- 338.08160 195.9
[M+Na-2H]- 300.04242 164.7
[M]+ 279.06720 165.6
[M]- 279.06830 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.