CID 9555235

75968-26-2

Structural Information

Molecular Formula
C10H11N3O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N/N=C/C(=O)O
InChI
InChI=1S/C10H11N3O5S/c1-7(14)12-8-2-4-9(5-3-8)19(17,18)13-11-6-10(15)16/h2-6,13H,1H3,(H,12,14)(H,15,16)/b11-6+
InChIKey
HTPGGBODPWPAHV-IZZDOVSWSA-N
Compound name
(2E)-2-[(4-acetamidophenyl)sulfonylhydrazinylidene]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.04193 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04921 158.9
[M+Na]+ 308.03115 164.4
[M-H]- 284.03465 162.3
[M+NH4]+ 303.07575 173.4
[M+K]+ 324.00509 162.0
[M+H-H2O]+ 268.03919 151.5
[M+HCOO]- 330.04013 178.8
[M+CH3COO]- 344.05578 201.7
[M+Na-2H]- 306.01660 163.2
[M]+ 285.04138 160.7
[M]- 285.04248 160.7
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

No patent data available for this compound.