CID 4962822

2-[(2-nitro-4-sulfamoylphenyl)amino]acetic acid

Structural Information

Molecular Formula
C8H9N3O6S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])NCC(=O)O
InChI
InChI=1S/C8H9N3O6S/c9-18(16,17)5-1-2-6(10-4-8(12)13)7(3-5)11(14)15/h1-3,10H,4H2,(H,12,13)(H2,9,16,17)
InChIKey
CHTSHLFKNXZXLG-UHFFFAOYSA-N
Compound name
2-(2-nitro-4-sulfamoylanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0212 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.02848 150.2
[M+Na]+ 298.01042 155.5
[M-H]- 274.01392 152.1
[M+NH4]+ 293.05502 163.6
[M+K]+ 313.98436 148.6
[M+H-H2O]+ 258.01846 147.9
[M+HCOO]- 320.01940 169.0
[M+CH3COO]- 334.03505 188.9
[M+Na-2H]- 295.99587 156.3
[M]+ 275.02065 148.3
[M]- 275.02175 148.3
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.