CID 3067708

Brn 5078860

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0467 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05398 157.4
[M+Na]+ 295.03592 164.1
[M+NH4]+ 290.08052 161.8
[M+K]+ 311.00986 161.2
[M-H]- 271.03942 156.2
[M+Na-2H]- 293.02137 160.0
[M]+ 272.04615 157.9
[M]- 272.04725 157.9
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.