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]+ 282.19648 167.5
[M+Na]+ 304.17842 170.6
[M-H]- 280.18192 172.7
[M+NH4]+ 299.22302 179.2
[M+K]+ 320.15236 165.0
[M+H-H2O]+ 264.18646 156.3
[M+HCOO]- 326.18740 185.8
[M+CH3COO]- 340.20305 176.5
[M+Na-2H]- 302.16387 172.8
[M]+ 281.18865 161.6
[M]- 281.18975 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.