CID 5729339

4-(5-((z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl)furan-2-yl)benzenesulfonamide

Structural Information

Molecular Formula
C14H11N3O4S2
SMILES
C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=O)N=C(S3)N)S(=O)(=O)N
InChI
InChI=1S/C14H11N3O4S2/c15-14-17-13(18)12(22-14)7-9-3-6-11(21-9)8-1-4-10(5-2-8)23(16,19)20/h1-7H,(H2,15,17,18)(H2,16,19,20)/b12-7-
InChIKey
BKUMVXIXUVYKDQ-GHXNOFRVSA-N
Compound name
4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

349.0191 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.02638 179.7
[M+Na]+ 372.00832 190.0
[M-H]- 348.01182 189.2
[M+NH4]+ 367.05292 193.7
[M+K]+ 387.98226 184.7
[M+H-H2O]+ 332.01636 174.1
[M+HCOO]- 394.01730 194.1
[M+CH3COO]- 408.03295 208.0
[M+Na-2H]- 369.99377 178.7
[M]+ 349.01855 181.6
[M]- 349.01965 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.