CID 9588873

Methyl 4-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-3-thiophenecarboxylate

Structural Information

Molecular Formula
C14H11N3O4S2
SMILES
COC(=O)C1=CSC=C1S(=O)(=O)N/N=C/C2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H11N3O4S2/c1-21-14(18)12-8-22-9-13(12)23(19,20)17-16-7-11-4-2-10(6-15)3-5-11/h2-5,7-9,17H,1H3/b16-7+
InChIKey
XIVLZYBBLHTQAO-FRKPEAEDSA-N
Compound name
methyl 4-[[(E)-(4-cyanophenyl)methylideneamino]sulfamoyl]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0191 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.02638 172.0
[M+Na]+ 372.00832 180.0
[M+NH4]+ 367.05292 174.6
[M+K]+ 387.98226 171.0
[M-H]- 348.01182 167.0
[M+Na-2H]- 369.99377 174.8
[M]+ 349.01855 171.4
[M]- 349.01965 171.4
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.