CID 2125326

2-[4-(ethoxycarbonyl)benzenesulfonamido]acetic acid

Structural Information

Molecular Formula
C11H13NO6S
SMILES
CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C11H13NO6S/c1-2-18-11(15)8-3-5-9(6-4-8)19(16,17)12-7-10(13)14/h3-6,12H,2,7H2,1H3,(H,13,14)
InChIKey
NNTMPSCSCNKXCX-UHFFFAOYSA-N
Compound name
2-[(4-ethoxycarbonylphenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.04636 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05364 161.4
[M+Na]+ 310.03558 168.8
[M+NH4]+ 305.08018 165.5
[M+K]+ 326.00952 165.0
[M-H]- 286.03908 159.3
[M+Na-2H]- 308.02103 163.8
[M]+ 287.04581 161.7
[M]- 287.04691 161.7
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

No patent data available for this compound.