CID 13431739

99918-45-3

Structural Information

Molecular Formula
C20H26N2
SMILES
CC1=CC(=CC=C1)NC2CCN(CC2)CCC3=CC=CC=C3
InChI
InChI=1S/C20H26N2/c1-17-6-5-9-20(16-17)21-19-11-14-22(15-12-19)13-10-18-7-3-2-4-8-18/h2-9,16,19,21H,10-15H2,1H3
InChIKey
DSWKXTYRMTZUHK-UHFFFAOYSA-N
Compound name
N-(3-methylphenyl)-1-(2-phenylethyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

294.2096 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 172.5
[M+Na]+ 317.19882 175.7
[M-H]- 293.20232 179.2
[M+NH4]+ 312.24342 185.4
[M+K]+ 333.17276 169.9
[M+H-H2O]+ 277.20686 162.1
[M+HCOO]- 339.20780 191.5
[M+CH3COO]- 353.22345 181.8
[M+Na-2H]- 315.18427 175.8
[M]+ 294.20905 167.1
[M]- 294.21015 167.1
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.