CID 6435793

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

Structural Information

Molecular Formula
C12H12N2O7S
SMILES
COC(=O)/C=C/C(=O)NNS(=O)(=O)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C12H12N2O7S/c1-21-11(16)7-6-10(15)13-14-22(19,20)9-4-2-8(3-5-9)12(17)18/h2-7,14H,1H3,(H,13,15)(H,17,18)/b7-6+
InChIKey
AEPWEJRFEFLJRF-VOTSOKGWSA-N
Compound name
4-[[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.03653 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.04381 169.8
[M+Na]+ 351.02575 174.9
[M+NH4]+ 346.07035 171.9
[M+K]+ 366.99969 172.6
[M-H]- 327.02925 166.6
[M+Na-2H]- 349.01120 170.9
[M]+ 328.03598 169.2
[M]- 328.03708 169.2
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.