CID 6435788

(z)-2-butenedioic acid 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]+ 301.04888 164.2
[M+Na]+ 323.03082 170.4
[M+NH4]+ 318.07542 167.5
[M+K]+ 339.00476 166.9
[M-H]- 299.03432 162.0
[M+Na-2H]- 321.01627 166.2
[M]+ 300.04105 164.2
[M]- 300.04215 164.2
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.