CID 10467688

2-[(4-sulfamoylphenyl)formamido]acetic acid

Structural Information

Molecular Formula
C9H10N2O5S
SMILES
C1=CC(=CC=C1C(=O)NCC(=O)O)S(=O)(=O)N
InChI
InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
InChIKey
UEFOOXBQBNWTDR-UHFFFAOYSA-N
Compound name
2-[(4-sulfamoylbenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

258.03104 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.038316 152.3
[M+Na]+ 281.020258 158.4
[M-H]- 257.023764 154.1
[M+NH4]+ 276.064863 167.4
[M+K]+ 296.994198 155.7
[M+H-H2O]+ 241.028300 145.8
[M+HCOO]- 303.029241 169.4
[M+CH3COO]- 317.044891 192.0
[M+Na-2H]- 279.005706 155.0
[M]+ 258.03049142 152.6
[M]- 258.03158858 152.6
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