CID 43327643

1097054-27-7

Structural Information

Molecular Formula
C18H23N3
SMILES
C1CC(CN(C1)CC2=CC=CC=C2)NCC3=CC=NC=C3
InChI
InChI=1S/C18H23N3/c1-2-5-17(6-3-1)14-21-12-4-7-18(15-21)20-13-16-8-10-19-11-9-16/h1-3,5-6,8-11,18,20H,4,7,12-15H2
InChIKey
LBZFMMNDAKTLKN-UHFFFAOYSA-N
Compound name
1-benzyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1892 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.196476 167.5
[M+Na]+ 304.178418 170.6
[M-H]- 280.181924 172.7
[M+NH4]+ 299.223023 179.2
[M+K]+ 320.152358 165.0
[M+H-H2O]+ 264.186460 156.3
[M+HCOO]- 326.187401 185.8
[M+CH3COO]- 340.203051 176.5
[M+Na-2H]- 302.163866 172.8
[M]+ 281.18865142 161.6
[M]- 281.18974858 161.6
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.