CID 3062061

Ethanone, 2-(4-piperidinyl)-1-(4-quinolinyl)-

Structural Information

Molecular Formula
C16H18N2O
SMILES
C1CNCCC1CC(=O)C2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C16H18N2O/c19-16(11-12-5-8-17-9-6-12)14-7-10-18-15-4-2-1-3-13(14)15/h1-4,7,10,12,17H,5-6,8-9,11H2
InChIKey
SJPWBZYZHVUQRD-UHFFFAOYSA-N
Compound name
2-piperidin-4-yl-1-quinolin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

254.1419 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 159.5
[M+Na]+ 277.13112 163.9
[M-H]- 253.13462 161.5
[M+NH4]+ 272.17572 173.2
[M+K]+ 293.10506 158.5
[M+H-H2O]+ 237.13916 150.0
[M+HCOO]- 299.14010 173.8
[M+CH3COO]- 313.15575 168.8
[M+Na-2H]- 275.11657 164.3
[M]+ 254.14135 153.2
[M]- 254.14245 153.2
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