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

3224
Patents

377.103 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.110276 185.4
[M+Na]+ 400.092218 191.5
[M-H]- 376.095724 190.3
[M+NH4]+ 395.136823 196.4
[M+K]+ 416.066158 188.0
[M+H-H2O]+ 360.100260 176.9
[M+HCOO]- 422.101201 200.1
[M+CH3COO]- 436.116851 213.6
[M+Na-2H]- 398.077666 188.7
[M]+ 377.10245142 193.2
[M]- 377.10354858 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

literature stripe

Patent stripe

patents stripe