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 188.4
[M+Na]+ 374.22027 190.6
[M-H]- 350.22377 193.3
[M+NH4]+ 369.26487 199.1
[M+K]+ 390.19421 185.1
[M+H-H2O]+ 334.22831 176.6
[M+HCOO]- 396.22925 204.7
[M+CH3COO]- 410.24490 215.1
[M+Na-2H]- 372.20572 191.3
[M]+ 351.23050 184.1
[M]- 351.23160 184.1
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.