CID 3061125

1h-imidazole-5-carboxamide, 4-((phenylsulfonyl)oxy)-

Structural Information

Molecular Formula
C10H9N3O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)OC2=C(NC=N2)C(=O)N
InChI
InChI=1S/C10H9N3O4S/c11-9(14)8-10(13-6-12-8)17-18(15,16)7-4-2-1-3-5-7/h1-6H,(H2,11,14)(H,12,13)
InChIKey
GEKNRLXTWKPAHV-UHFFFAOYSA-N
Compound name
(5-carbamoyl-1H-imidazol-4-yl) benzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

267.03137 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.038646 156.1
[M+Na]+ 290.020588 164.6
[M-H]- 266.024094 159.3
[M+NH4]+ 285.065193 170.5
[M+K]+ 305.994528 160.7
[M+H-H2O]+ 250.028630 148.8
[M+HCOO]- 312.029571 172.6
[M+CH3COO]- 326.045221 189.3
[M+Na-2H]- 288.006036 159.1
[M]+ 267.03082142 157.0
[M]- 267.03191858 157.0
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