CID 6435794

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

Structural Information

Molecular Formula
C11H13N3O7S2
SMILES
COC(=O)/C=C/C(=O)NNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C11H13N3O7S2/c1-21-11(16)7-6-10(15)13-14-23(19,20)9-4-2-8(3-5-9)22(12,17)18/h2-7,14H,1H3,(H,13,15)(H2,12,17,18)/b7-6+
InChIKey
NGPPEDWLJAJCIE-VOTSOKGWSA-N
Compound name
methyl (E)-4-oxo-4-[2-(4-sulfamoylphenyl)sulfonylhydrazinyl]but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.0195 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.02678 177.4
[M+Na]+ 386.00872 180.7
[M+NH4]+ 381.05332 179.0
[M+K]+ 401.98266 177.4
[M-H]- 362.01222 174.2
[M+Na-2H]- 383.99417 178.2
[M]+ 363.01895 177.0
[M]- 363.02005 177.0
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.