CID 10775795

Methyl 3-amino-4-sulfamoylbenzoate

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N)N
InChI
InChI=1S/C8H10N2O4S/c1-14-8(11)5-2-3-7(6(9)4-5)15(10,12)13/h2-4H,9H2,1H3,(H2,10,12,13)
InChIKey
WWCNAJOPYMOOMQ-UHFFFAOYSA-N
Compound name
methyl 3-amino-4-sulfamoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

230.03613 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.043406 146.0
[M+Na]+ 253.025348 154.2
[M-H]- 229.028854 149.3
[M+NH4]+ 248.069953 163.3
[M+K]+ 268.999288 151.6
[M+H-H2O]+ 213.033390 139.8
[M+HCOO]- 275.034331 164.8
[M+CH3COO]- 289.049981 189.6
[M+Na-2H]- 251.010796 148.7
[M]+ 230.03558142 147.1
[M]- 230.03667858 147.1
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