CID 9588868

145865-80-1

Structural Information

Molecular Formula
C14H11N3O4S2
SMILES
COC(=O)C1=C(C=CS1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H11N3O4S2/c1-21-14(18)13-12(6-7-22-13)23(19,20)17-16-9-11-4-2-10(8-15)3-5-11/h2-7,9,17H,1H3/b16-9+
InChIKey
ZKJFOEZXXCOQFT-CXUHLZMHSA-N
Compound name
methyl 3-[[(E)-(4-cyanophenyl)methylideneamino]sulfamoyl]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0191 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.02638 195.7
[M+Na]+ 372.00832 205.6
[M-H]- 348.01182 203.0
[M+NH4]+ 367.05292 209.4
[M+K]+ 387.98226 200.9
[M+H-H2O]+ 332.01636 181.8
[M+HCOO]- 394.01730 208.4
[M+CH3COO]- 408.03295 219.9
[M+Na-2H]- 369.99377 195.8
[M]+ 349.01855 195.3
[M]- 349.01965 195.3
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.