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]+ 338.222696 183.8
[M+Na]+ 360.204638 185.5
[M-H]- 336.208144 190.0
[M+NH4]+ 355.249243 193.5
[M+K]+ 376.178578 181.2
[M+H-H2O]+ 320.212680 171.7
[M+HCOO]- 382.213621 200.8
[M+CH3COO]- 396.229271 215.9
[M+Na-2H]- 358.190086 185.5
[M]+ 337.21487142 180.0
[M]- 337.21596858 180.0
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.