CID 154731480

Hydroxy bezafibrate

Structural Information

Molecular Formula
C19H20ClNO5
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C19H20ClNO5/c1-19(2,18(24)25)26-15-9-5-12(6-10-15)16(22)11-21-17(23)13-3-7-14(20)8-4-13/h3-10,16,22H,11H2,1-2H3,(H,21,23)(H,24,25)
InChIKey
BSKJWQIHRRCBIU-UHFFFAOYSA-N
Compound name
2-[4-[2-[(4-chlorobenzoyl)amino]-1-hydroxyethyl]phenoxy]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

377.103 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.110276 184.3
[M+Na]+ 400.092218 189.2
[M-H]- 376.095724 188.3
[M+NH4]+ 395.136823 195.1
[M+K]+ 416.066158 185.2
[M+H-H2O]+ 360.100260 177.7
[M+HCOO]- 422.101201 197.5
[M+CH3COO]- 436.116851 214.4
[M+Na-2H]- 398.077666 185.3
[M]+ 377.10245142 187.4
[M]- 377.10354858 187.4
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

No patent data available for this compound.