CID 17535109

2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C14H9NO3S
SMILES
C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CO3)C(=O)O
InChI
InChI=1S/C14H9NO3S/c16-14(17)12-11(9-5-2-1-3-6-9)15-13(19-12)10-7-4-8-18-10/h1-8H,(H,16,17)
InChIKey
ISOKSHFZZCNJOR-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0303 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.03758 158.1
[M+Na]+ 294.01952 169.1
[M-H]- 270.02302 168.2
[M+NH4]+ 289.06412 175.4
[M+K]+ 309.99346 166.1
[M+H-H2O]+ 254.02756 152.2
[M+HCOO]- 316.02850 178.5
[M+CH3COO]- 330.04415 172.0
[M+Na-2H]- 292.00497 159.0
[M]+ 271.02975 163.4
[M]- 271.03085 163.4
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.