CID 3087082

4-pyridinecarboxamide, n-methyl-n-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C21H27N3O
SMILES
CN(CCC1CCN(CC1)CC2=CC=CC=C2)C(=O)C3=CC=NC=C3
InChI
InChI=1S/C21H27N3O/c1-23(21(25)20-7-12-22-13-8-20)14-9-18-10-15-24(16-11-18)17-19-5-3-2-4-6-19/h2-8,12-13,18H,9-11,14-17H2,1H3
InChIKey
VKTWQFMJSJGKAR-UHFFFAOYSA-N
Compound name
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 184.4
[M+Na]+ 360.20464 197.2
[M+NH4]+ 355.24924 192.0
[M+K]+ 376.17858 188.8
[M-H]- 336.20814 190.5
[M+Na-2H]- 358.19009 193.7
[M]+ 337.21487 187.9
[M]- 337.21597 187.9
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.