CID 3068228

(+-)-1-(2-phenyl-4-quinolyl)-3-(4-piperidyl)-1-propanol

Structural Information

Molecular Formula
C23H26N2O
SMILES
C1CNCCC1CCC(C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)O
InChI
InChI=1S/C23H26N2O/c26-23(11-10-17-12-14-24-15-13-17)20-16-22(18-6-2-1-3-7-18)25-21-9-5-4-8-19(20)21/h1-9,16-17,23-24,26H,10-15H2
InChIKey
UYMXSZLHSFKCJB-UHFFFAOYSA-N
Compound name
1-(2-phenylquinolin-4-yl)-3-piperidin-4-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

346.2045 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21178 185.2
[M+Na]+ 369.19372 187.8
[M-H]- 345.19722 188.4
[M+NH4]+ 364.23832 193.9
[M+K]+ 385.16766 179.9
[M+H-H2O]+ 329.20176 173.9
[M+HCOO]- 391.20270 196.5
[M+CH3COO]- 405.21835 191.7
[M+Na-2H]- 367.17917 187.5
[M]+ 346.20395 177.7
[M]- 346.20505 177.7
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

patents stripe