CID 39042

Bezafibrate

Structural Information

Molecular Formula
C19H20ClNO4
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKey
IIBYAHWJQTYFKB-UHFFFAOYSA-N
Compound name
2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1858
References

34232
Patents

361.1081 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.115376 182.9
[M+Na]+ 384.097318 188.7
[M-H]- 360.100824 188.1
[M+NH4]+ 379.141923 195.2
[M+K]+ 400.071258 184.0
[M+H-H2O]+ 344.105360 175.9
[M+HCOO]- 406.106301 198.3
[M+CH3COO]- 420.121951 213.5
[M+Na-2H]- 382.082766 185.1
[M]+ 361.10755142 186.9
[M]- 361.10864858 186.9
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