CID 12684245

Methyl 2-sulfamoylpyridine-4-carboxylate

Structural Information

Molecular Formula
C7H8N2O4S
SMILES
COC(=O)C1=CC(=NC=C1)S(=O)(=O)N
InChI
InChI=1S/C7H8N2O4S/c1-13-7(10)5-2-3-9-6(4-5)14(8,11)12/h2-4H,1H3,(H2,8,11,12)
InChIKey
YTHOVWCRGMPADR-UHFFFAOYSA-N
Compound name
methyl 2-sulfamoylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

216.02048 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.027756 142.1
[M+Na]+ 239.009698 150.9
[M-H]- 215.013204 144.6
[M+NH4]+ 234.054303 159.1
[M+K]+ 254.983638 148.9
[M+H-H2O]+ 199.017740 135.7
[M+HCOO]- 261.018681 159.9
[M+CH3COO]- 275.034331 183.4
[M+Na-2H]- 236.995146 146.5
[M]+ 216.01993142 144.8
[M]- 216.02102858 144.8
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