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

9
Patents

284.15247 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.159746 167.5
[M+Na]+ 307.141688 172.2
[M-H]- 283.145194 169.7
[M+NH4]+ 302.186293 180.1
[M+K]+ 323.115628 167.2
[M+H-H2O]+ 267.149730 157.8
[M+HCOO]- 329.150671 181.5
[M+CH3COO]- 343.166321 176.4
[M+Na-2H]- 305.127136 171.0
[M]+ 284.15192142 163.3
[M]- 284.15301858 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