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
1
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]+ 295.216876 172.5
[M+Na]+ 317.198818 175.7
[M-H]- 293.202324 179.2
[M+NH4]+ 312.243423 185.4
[M+K]+ 333.172758 169.9
[M+H-H2O]+ 277.206860 162.1
[M+HCOO]- 339.207801 191.5
[M+CH3COO]- 353.223451 181.8
[M+Na-2H]- 315.184266 175.8
[M]+ 294.20905142 167.1
[M]- 294.21014858 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.