CID 6435788

2-butenedioic acid, (z)-, mono(2-((4-methoxyphenyl)sulfonyl)hydrazide)

Structural Information

Molecular Formula
C11H12N2O6S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)/C=C\C(=O)O
InChI
InChI=1S/C11H12N2O6S/c1-19-8-2-4-9(5-3-8)20(17,18)13-12-10(14)6-7-11(15)16/h2-7,13H,1H3,(H,12,14)(H,15,16)/b7-6-
InChIKey
PRBCPTBGFGONDG-SREVYHEPSA-N
Compound name
(Z)-4-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0416 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.048876 162.6
[M+Na]+ 323.030818 167.9
[M-H]- 299.034324 164.5
[M+NH4]+ 318.075423 176.0
[M+K]+ 339.004758 165.1
[M+H-H2O]+ 283.038860 155.5
[M+HCOO]- 345.039801 180.0
[M+CH3COO]- 359.055451 199.3
[M+Na-2H]- 321.016266 165.7
[M]+ 300.04105142 165.2
[M]- 300.04214858 165.2
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.