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

5
Patents

267.03137 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03865 156.1
[M+Na]+ 290.02059 164.6
[M-H]- 266.02409 159.3
[M+NH4]+ 285.06519 170.5
[M+K]+ 305.99453 160.7
[M+H-H2O]+ 250.02863 148.8
[M+HCOO]- 312.02957 172.6
[M+CH3COO]- 326.04522 189.3
[M+Na-2H]- 288.00604 159.1
[M]+ 267.03082 157.0
[M]- 267.03192 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