CID 6435792

2-butenedioic acid, (e)-, monomethyl ester, 2-((4-methoxyphenyl)sulfonyl)hydrazide

Structural Information

Molecular Formula
C12H14N2O6S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)/C=C/C(=O)OC
InChI
InChI=1S/C12H14N2O6S/c1-19-9-3-5-10(6-4-9)21(17,18)14-13-11(15)7-8-12(16)20-2/h3-8,14H,1-2H3,(H,13,15)/b8-7+
InChIKey
LTEJBAIWKBTQRD-BQYQJAHWSA-N
Compound name
methyl (E)-4-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.05725 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06453 167.2
[M+Na]+ 337.04647 172.6
[M-H]- 313.04997 170.4
[M+NH4]+ 332.09107 180.9
[M+K]+ 353.02041 170.5
[M+H-H2O]+ 297.05451 159.7
[M+HCOO]- 359.05545 185.8
[M+CH3COO]- 373.07110 203.9
[M+Na-2H]- 335.03192 170.2
[M]+ 314.05670 171.9
[M]- 314.05780 171.9
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.