CID 9588871

3-thiophenecarboxylic acid, 4-(((phenylmethylene)hydrazino)sulfonyl)-, methyl ester

Structural Information

Molecular Formula
C13H12N2O4S2
SMILES
COC(=O)C1=CSC=C1S(=O)(=O)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C13H12N2O4S2/c1-19-13(16)11-8-20-9-12(11)21(17,18)15-14-7-10-5-3-2-4-6-10/h2-9,15H,1H3/b14-7+
InChIKey
VZYNOIQAMOUSCN-VGOFMYFVSA-N
Compound name
methyl 4-[[(E)-benzylideneamino]sulfamoyl]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.02383 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.031106 173.7
[M+Na]+ 347.013048 181.2
[M-H]- 323.016554 181.6
[M+NH4]+ 342.057653 189.9
[M+K]+ 362.986988 176.7
[M+H-H2O]+ 307.021090 166.4
[M+HCOO]- 369.022031 190.6
[M+CH3COO]- 383.037681 205.4
[M+Na-2H]- 344.998496 176.2
[M]+ 324.02328142 178.5
[M]- 324.02437858 178.5
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.