CID 5951796

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

Structural Information

Molecular Formula
C15H10N2O4S
SMILES
C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=O)N=C(S3)N)C(=O)O
InChI
InChI=1S/C15H10N2O4S/c16-15-17-13(18)12(22-15)7-10-5-6-11(21-10)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,19,20)(H2,16,17,18)/b12-7-
InChIKey
JLRKRQCTYQGDKJ-GHXNOFRVSA-N
Compound name
4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.03613 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04341 170.9
[M+Na]+ 337.02535 180.3
[M-H]- 313.02885 180.1
[M+NH4]+ 332.06995 185.8
[M+K]+ 352.99929 176.3
[M+H-H2O]+ 297.03339 164.8
[M+HCOO]- 359.03433 188.8
[M+CH3COO]- 373.04998 200.8
[M+Na-2H]- 335.01080 168.3
[M]+ 314.03558 172.8
[M]- 314.03668 172.8
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.