CID 3048080

63885-15-4

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CCCC1CNCCC1CCC(C2=C3C=C(C=CC3=NC=C2)OC)O
InChI
InChI=1S/C21H30N2O2/c1-3-4-16-14-22-11-9-15(16)5-8-21(24)18-10-12-23-20-7-6-17(25-2)13-19(18)20/h6-7,10,12-13,15-16,21-22,24H,3-5,8-9,11,14H2,1-2H3
InChIKey
IQNFEHMYUSZMQZ-UHFFFAOYSA-N
Compound name
1-(6-methoxyquinolin-4-yl)-3-(3-propylpiperidin-4-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.23074 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.238016 186.8
[M+Na]+ 365.219958 190.0
[M-H]- 341.223464 187.2
[M+NH4]+ 360.264563 196.7
[M+K]+ 381.193898 183.9
[M+H-H2O]+ 325.228000 176.9
[M+HCOO]- 387.228941 197.8
[M+CH3COO]- 401.244591 210.4
[M+Na-2H]- 363.205406 187.1
[M]+ 342.23019142 183.3
[M]- 342.23128858 183.3
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

No patent data available for this compound.