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

37
Patents

216.02048 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02776 142.1
[M+Na]+ 239.00970 150.9
[M-H]- 215.01320 144.6
[M+NH4]+ 234.05430 159.1
[M+K]+ 254.98364 148.9
[M+H-H2O]+ 199.01774 135.7
[M+HCOO]- 261.01868 159.9
[M+CH3COO]- 275.03433 183.4
[M+Na-2H]- 236.99515 146.5
[M]+ 216.01993 144.8
[M]- 216.02103 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