CID 409823

858474-14-3

Structural Information

Molecular Formula
C22H24N2O2
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(C4CCCCN4)O
InChI
InChI=1S/C22H24N2O2/c1-26-16-11-9-15(10-12-16)21-14-18(17-6-2-3-7-19(17)24-21)22(25)20-8-4-5-13-23-20/h2-3,6-7,9-12,14,20,22-23,25H,4-5,8,13H2,1H3
InChIKey
PKDJQOGOVQLPPG-UHFFFAOYSA-N
Compound name
[2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

13
Patents

348.18378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 184.7
[M+Na]+ 371.17300 188.6
[M-H]- 347.17650 188.6
[M+NH4]+ 366.21760 193.6
[M+K]+ 387.14694 181.7
[M+H-H2O]+ 331.18104 173.6
[M+HCOO]- 393.18198 196.5
[M+CH3COO]- 407.19763 191.9
[M+Na-2H]- 369.15845 186.9
[M]+ 348.18323 178.8
[M]- 348.18433 178.8
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