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

1856
References

33606
Patents

361.1081 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.11538 182.9
[M+Na]+ 384.09732 188.7
[M-H]- 360.10082 188.1
[M+NH4]+ 379.14192 195.2
[M+K]+ 400.07126 184.0
[M+H-H2O]+ 344.10536 175.9
[M+HCOO]- 406.10630 198.3
[M+CH3COO]- 420.12195 213.5
[M+Na-2H]- 382.08277 185.1
[M]+ 361.10755 186.9
[M]- 361.10865 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