CID 271680

2-(4-acetamidobenzenesulfonamido)acetic acid

Structural Information

Molecular Formula
C10H12N2O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C10H12N2O5S/c1-7(13)12-8-2-4-9(5-3-8)18(16,17)11-6-10(14)15/h2-5,11H,6H2,1H3,(H,12,13)(H,14,15)
InChIKey
YOAFXXUEQDFMOT-UHFFFAOYSA-N
Compound name
2-[(4-acetamidophenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

272.0467 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05398 156.3
[M+Na]+ 295.03592 162.0
[M-H]- 271.03942 158.5
[M+NH4]+ 290.08052 171.1
[M+K]+ 311.00986 159.4
[M+H-H2O]+ 255.04396 149.6
[M+HCOO]- 317.04490 173.7
[M+CH3COO]- 331.06055 195.5
[M+Na-2H]- 293.02137 159.6
[M]+ 272.04615 158.0
[M]- 272.04725 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe