CID 9588871

Methyl 4-(((phenylmethylene)hydrazino)sulfonyl)-3-thiophenecarboxylate

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]+ 325.03111 173.7
[M+Na]+ 347.01305 181.2
[M-H]- 323.01655 181.6
[M+NH4]+ 342.05765 189.9
[M+K]+ 362.98699 176.7
[M+H-H2O]+ 307.02109 166.4
[M+HCOO]- 369.02203 190.6
[M+CH3COO]- 383.03768 205.4
[M+Na-2H]- 344.99850 176.2
[M]+ 324.02328 178.5
[M]- 324.02438 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.