CID 5729339

Refchem:514589

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

4
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

patents stripe