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]+ 272.037576 158.1
[M+Na]+ 294.019518 169.1
[M-H]- 270.023024 168.2
[M+NH4]+ 289.064123 175.4
[M+K]+ 309.993458 166.1
[M+H-H2O]+ 254.027560 152.2
[M+HCOO]- 316.028501 178.5
[M+CH3COO]- 330.044151 172.0
[M+Na-2H]- 292.004966 159.0
[M]+ 271.02975142 163.4
[M]- 271.03084858 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.