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

6
Patents

230.03613 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 146.0
[M+Na]+ 253.02535 154.2
[M-H]- 229.02885 149.3
[M+NH4]+ 248.06995 163.3
[M+K]+ 268.99929 151.6
[M+H-H2O]+ 213.03339 139.8
[M+HCOO]- 275.03433 164.8
[M+CH3COO]- 289.04998 189.6
[M+Na-2H]- 251.01080 148.7
[M]+ 230.03558 147.1
[M]- 230.03668 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