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]+ 343.23802 186.8
[M+Na]+ 365.21996 190.0
[M-H]- 341.22346 187.2
[M+NH4]+ 360.26456 196.7
[M+K]+ 381.19390 183.9
[M+H-H2O]+ 325.22800 176.9
[M+HCOO]- 387.22894 197.8
[M+CH3COO]- 401.24459 210.4
[M+Na-2H]- 363.20541 187.1
[M]+ 342.23019 183.3
[M]- 342.23129 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.