CID 132482

1-butyl-isonicotinoylpiperidine

Structural Information

Molecular Formula
C15H23N3O
SMILES
CCCCN1CCC(CC1)NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C15H23N3O/c1-2-3-10-18-11-6-14(7-12-18)17-15(19)13-4-8-16-9-5-13/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,17,19)
InChIKey
AYYNCSYGPQDBLP-UHFFFAOYSA-N
Compound name
N-(1-butylpiperidin-4-yl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.1841 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19138 164.0
[M+Na]+ 284.17332 167.2
[M-H]- 260.17682 166.4
[M+NH4]+ 279.21792 177.1
[M+K]+ 300.14726 163.6
[M+H-H2O]+ 244.18136 154.2
[M+HCOO]- 306.18230 181.5
[M+CH3COO]- 320.19795 198.8
[M+Na-2H]- 282.15877 167.1
[M]+ 261.18355 159.8
[M]- 261.18465 159.8
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.