CID 6432886

40265-99-4

Structural Information

Molecular Formula
C15H13N3O5S
SMILES
C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C\C(=O)O
InChI
InChI=1S/C15H13N3O5S/c19-14(8-9-15(20)21)17-11-4-6-12(7-5-11)24(22,23)18-13-3-1-2-10-16-13/h1-10H,(H,16,18)(H,17,19)(H,20,21)/b9-8-
InChIKey
PZDUWVNSUTYFQA-HJWRWDBZSA-N
Compound name
(Z)-4-oxo-4-[4-(pyridin-2-ylsulfamoyl)anilino]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0576 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.064876 176.0
[M+Na]+ 370.046818 181.3
[M-H]- 346.050324 179.8
[M+NH4]+ 365.091423 186.0
[M+K]+ 386.020758 176.5
[M+H-H2O]+ 330.054860 167.4
[M+HCOO]- 392.055801 192.4
[M+CH3COO]- 406.071451 207.8
[M+Na-2H]- 368.032266 180.2
[M]+ 347.05705142 176.7
[M]- 347.05814858 176.7
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.