CID 459644

1-piperidyl(3-quinolyl)methanone

Structural Information

Molecular Formula
C15H16N2O
SMILES
C1CCN(CC1)C(=O)C2=CC3=CC=CC=C3N=C2
InChI
InChI=1S/C15H16N2O/c18-15(17-8-4-1-5-9-17)13-10-12-6-2-3-7-14(12)16-11-13/h2-3,6-7,10-11H,1,4-5,8-9H2
InChIKey
IUUQDEGQDBXEGY-UHFFFAOYSA-N
Compound name
piperidin-1-yl(quinolin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12627 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 155.1
[M+Na]+ 263.11549 160.5
[M-H]- 239.11899 158.7
[M+NH4]+ 258.16009 170.1
[M+K]+ 279.08943 156.1
[M+H-H2O]+ 223.12353 145.5
[M+HCOO]- 285.12447 171.3
[M+CH3COO]- 299.14012 165.5
[M+Na-2H]- 261.10094 160.8
[M]+ 240.12572 150.2
[M]- 240.12682 150.2
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

No patent data available for this compound.