CID 50923862

Hyzetimibe

Structural Information

Molecular Formula
C25H21F2NO3
SMILES
C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)C/C=C(\CO)/C4=CC=C(C=C4)F)O
InChI
InChI=1S/C25H21F2NO3/c26-19-6-1-16(2-7-19)18(15-29)5-14-23-24(17-3-12-22(30)13-4-17)28(25(23)31)21-10-8-20(27)9-11-21/h1-13,23-24,29-30H,14-15H2/b18-5+/t23-,24-/m1/s1
InChIKey
HEHHPZYUXSFAPV-SMOXZEHUSA-N
Compound name
(3R,4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

38
Patents

421.14896 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.15624 208.4
[M+Na]+ 444.13818 217.3
[M+NH4]+ 439.18278 209.2
[M+K]+ 460.11212 210.7
[M-H]- 420.14168 208.6
[M+Na-2H]- 442.12363 212.1
[M]+ 421.14841 208.4
[M]- 421.14951 208.4
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

patents stripe