CID 68671

Ronifibrate

Structural Information

Molecular Formula
C19H20ClNO5
SMILES
CC(C)(C(=O)OCCCOC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H20ClNO5/c1-19(2,26-16-8-6-15(20)7-9-16)18(23)25-12-4-11-24-17(22)14-5-3-10-21-13-14/h3,5-10,13H,4,11-12H2,1-2H3
InChIKey
AYJVGKWCGIYEAK-UHFFFAOYSA-N
Compound name
3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxypropyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3209
Patents

377.103 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11028 185.4
[M+Na]+ 400.09222 191.5
[M-H]- 376.09572 190.3
[M+NH4]+ 395.13682 196.4
[M+K]+ 416.06616 188.0
[M+H-H2O]+ 360.10026 176.9
[M+HCOO]- 422.10120 200.1
[M+CH3COO]- 436.11685 213.6
[M+Na-2H]- 398.07767 188.7
[M]+ 377.10245 193.2
[M]- 377.10355 193.2
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.