CID 162884

59455-24-2

Structural Information

Molecular Formula
C22H29N3O
SMILES
CCCCN1CCC(CC1)(CNC(=O)C2=CC=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H29N3O/c1-2-3-15-25-16-11-22(12-17-25,20-7-5-4-6-8-20)18-24-21(26)19-9-13-23-14-10-19/h4-10,13-14H,2-3,11-12,15-18H2,1H3,(H,24,26)
InChIKey
YATCATULOMOQHN-UHFFFAOYSA-N
Compound name
N-[(1-butyl-4-phenylpiperidin-4-yl)methyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.23105 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 189.6
[M+Na]+ 374.22027 202.1
[M+NH4]+ 369.26487 198.2
[M+K]+ 390.19421 191.3
[M-H]- 350.22377 195.3
[M+Na-2H]- 372.20572 199.8
[M]+ 351.23050 193.1
[M]- 351.23160 193.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.