CID 3062063

Ethanone, 1-(6-methoxy-4-quinolinyl)-2-(4-piperidinyl)-, dihydrochloride, dihydrate

Structural Information

Molecular Formula
C17H20N2O2
SMILES
COC1=CC2=C(C=CN=C2C=C1)C(=O)CC3CCNCC3
InChI
InChI=1S/C17H20N2O2/c1-21-13-2-3-16-15(11-13)14(6-9-19-16)17(20)10-12-4-7-18-8-5-12/h2-3,6,9,11-12,18H,4-5,7-8,10H2,1H3
InChIKey
DPJQFIQFRZICNY-UHFFFAOYSA-N
Compound name
1-(6-methoxyquinolin-4-yl)-2-piperidin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

284.15247 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 167.5
[M+Na]+ 307.14169 172.2
[M-H]- 283.14519 169.7
[M+NH4]+ 302.18629 180.1
[M+K]+ 323.11563 167.2
[M+H-H2O]+ 267.14973 157.8
[M+HCOO]- 329.15067 181.5
[M+CH3COO]- 343.16632 176.4
[M+Na-2H]- 305.12714 171.0
[M]+ 284.15192 163.3
[M]- 284.15302 163.3
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

patents stripe