CID 9588866

Methyl 3-(((phenylmethylene)hydrazino)sulfonyl)-2-thiophenecarboxylate

Structural Information

Molecular Formula
C13H12N2O4S2
SMILES
COC(=O)C1=C(C=CS1)S(=O)(=O)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C13H12N2O4S2/c1-19-13(16)12-11(7-8-20-12)21(17,18)15-14-9-10-5-3-2-4-6-10/h2-9,15H,1H3/b14-9+
InChIKey
VWVLBVQZEWFMDE-NTEUORMPSA-N
Compound name
methyl 3-[[(E)-benzylideneamino]sulfamoyl]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.02383 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.03111 172.0
[M+Na]+ 347.01305 180.4
[M+NH4]+ 342.05765 178.4
[M+K]+ 362.98699 173.7
[M-H]- 323.01655 174.5
[M+Na-2H]- 344.99850 177.6
[M]+ 324.02328 174.5
[M]- 324.02438 174.5
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.