CID 68758

Zoliprofen

Structural Information

Molecular Formula
C12H11NO3S
SMILES
CC(C1=CC=C(C=C1)OC2=NC=CS2)C(=O)O
InChI
InChI=1S/C12H11NO3S/c1-8(11(14)15)9-2-4-10(5-3-9)16-12-13-6-7-17-12/h2-8H,1H3,(H,14,15)
InChIKey
RXZTWBVFHQLTBU-UHFFFAOYSA-N
Compound name
2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

312
Patents

249.04596 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05324 153.7
[M+Na]+ 272.03518 165.0
[M+NH4]+ 267.07978 161.3
[M+K]+ 288.00912 159.8
[M-H]- 248.03868 155.7
[M+Na-2H]- 270.02063 159.8
[M]+ 249.04541 156.2
[M]- 249.04651 156.2
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