CID 68720

Pirifibrate

Structural Information

Molecular Formula
C17H18ClNO4
SMILES
CC(C)(C(=O)OCC1=CC=CC(=N1)CO)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H18ClNO4/c1-17(2,23-15-8-6-12(18)7-9-15)16(21)22-11-14-5-3-4-13(10-20)19-14/h3-9,20H,10-11H2,1-2H3
InChIKey
YJBIJSVYPHRVCI-UHFFFAOYSA-N
Compound name
[6-(hydroxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

2284
Patents

335.09244 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09972 175.3
[M+Na]+ 358.08166 182.8
[M-H]- 334.08516 179.3
[M+NH4]+ 353.12626 187.8
[M+K]+ 374.05560 178.4
[M+H-H2O]+ 318.08970 167.7
[M+HCOO]- 380.09064 189.7
[M+CH3COO]- 394.10629 205.0
[M+Na-2H]- 356.06711 179.3
[M]+ 335.09189 180.9
[M]- 335.09299 180.9
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.