CID 118753531

Chembl3544516

Structural Information

Molecular Formula
C21H23ClFNO2
SMILES
C1CN(C=CC1(C2=CC=C(C=C2)Cl)O)CCCC(C3=CC=C(C=C3)F)O
InChI
InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-11,14,20,25-26H,1-2,12-13,15H2
InChIKey
MFRRKLRVXZYOMO-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.14014 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14742 187.9
[M+Na]+ 398.12936 194.0
[M-H]- 374.13286 191.5
[M+NH4]+ 393.17396 199.6
[M+K]+ 414.10330 186.3
[M+H-H2O]+ 358.13740 178.2
[M+HCOO]- 420.13834 197.8
[M+CH3COO]- 434.15399 211.4
[M+Na-2H]- 396.11481 188.5
[M]+ 375.13959 185.7
[M]- 375.14069 185.7
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.