CID 893960

2-(3,4-dimethoxybenzenesulfonamido)acetic acid

Structural Information

Molecular Formula
C10H13NO6S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)O)OC
InChI
InChI=1S/C10H13NO6S/c1-16-8-4-3-7(5-9(8)17-2)18(14,15)11-6-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKey
FMMNLVAUUSTYQG-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

275.04636 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05364 155.7
[M+Na]+ 298.03558 163.0
[M-H]- 274.03908 158.3
[M+NH4]+ 293.08018 171.1
[M+K]+ 314.00952 161.1
[M+H-H2O]+ 258.04362 149.4
[M+HCOO]- 320.04456 173.2
[M+CH3COO]- 334.06021 194.3
[M+Na-2H]- 296.02103 159.2
[M]+ 275.04581 161.5
[M]- 275.04691 161.5
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