CID 64718344

1487876-87-8

Structural Information

Molecular Formula
C14H9NO3S
SMILES
C1=CC=C(C=C1)C2=C(N=C(S2)C3=CC=CO3)C(=O)O
InChI
InChI=1S/C14H9NO3S/c16-14(17)11-12(9-5-2-1-3-6-9)19-13(15-11)10-7-4-8-18-10/h1-8H,(H,16,17)
InChIKey
PDAHFYHRAQTNLB-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-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 157.6
[M+Na]+ 294.01952 171.5
[M+NH4]+ 289.06412 165.8
[M+K]+ 309.99346 167.3
[M-H]- 270.02302 163.3
[M+Na-2H]- 292.00497 165.9
[M]+ 271.02975 161.7
[M]- 271.03085 161.7
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.