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]+ 378.11028 184.3
[M+Na]+ 400.09222 189.2
[M-H]- 376.09572 188.3
[M+NH4]+ 395.13682 195.1
[M+K]+ 416.06616 185.2
[M+H-H2O]+ 360.10026 177.7
[M+HCOO]- 422.10120 197.5
[M+CH3COO]- 436.11685 214.4
[M+Na-2H]- 398.07767 185.3
[M]+ 377.10245 187.4
[M]- 377.10355 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.