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 162.6
[M+Na]+ 323.03082 167.9
[M-H]- 299.03432 164.5
[M+NH4]+ 318.07542 176.0
[M+K]+ 339.00476 165.1
[M+H-H2O]+ 283.03886 155.5
[M+HCOO]- 345.03980 180.0
[M+CH3COO]- 359.05545 199.3
[M+Na-2H]- 321.01627 165.7
[M]+ 300.04105 165.2
[M]- 300.04215 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.