CID 43705

Brn 2169204

Structural Information

Molecular Formula
C10H11N3O6S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(=O)O
InChI
InChI=1S/C10H11N3O6S/c1-6(14)11-7-2-4-8(5-3-7)20(18,19)13-12-9(15)10(16)17/h2-5,13H,1H3,(H,11,14)(H,12,15)(H,16,17)
InChIKey
ZLTSMPFXHKGXPK-UHFFFAOYSA-N
Compound name
2-[2-(4-acetamidophenyl)sulfonylhydrazinyl]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.03687 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04415 162.9
[M+Na]+ 324.02609 167.6
[M+NH4]+ 319.07069 165.6
[M+K]+ 340.00003 165.7
[M-H]- 300.02959 160.7
[M+Na-2H]- 322.01154 164.7
[M]+ 301.03632 162.5
[M]- 301.03742 162.5
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.