CID 4962756

2-{[4-(methylsulfamoyl)-2-nitrophenyl]amino}acetic acid

Structural Information

Molecular Formula
C9H11N3O6S
SMILES
CNS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O6S/c1-10-19(17,18)6-2-3-7(11-5-9(13)14)8(4-6)12(15)16/h2-4,10-11H,5H2,1H3,(H,13,14)
InChIKey
MJDHHWKMNZWWID-UHFFFAOYSA-N
Compound name
2-[4-(methylsulfamoyl)-2-nitroanilino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.03687 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04415 155.5
[M+Na]+ 312.02609 163.2
[M+NH4]+ 307.07069 159.7
[M+K]+ 328.00003 162.4
[M-H]- 288.02959 155.6
[M+Na-2H]- 310.01154 158.4
[M]+ 289.03632 156.4
[M]- 289.03742 156.4
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.