CID 88890

21409-26-7

Structural Information

Molecular Formula
C19H24N2
SMILES
C1CN(CCC1NC2=CC=CC=C2)CCC3=CC=CC=C3
InChI
InChI=1S/C19H24N2/c1-3-7-17(8-4-1)11-14-21-15-12-19(13-16-21)20-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChIKey
ZCMDXDQUYIWEKB-UHFFFAOYSA-N
Compound name
N-phenyl-1-(2-phenylethyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

258
Patents

280.19394 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 167.5
[M+Na]+ 303.183158 170.1
[M-H]- 279.186664 173.9
[M+NH4]+ 298.227763 180.6
[M+K]+ 319.157098 164.5
[M+H-H2O]+ 263.191200 157.1
[M+HCOO]- 325.192141 186.8
[M+CH3COO]- 339.207791 176.8
[M+Na-2H]- 301.168606 172.1
[M]+ 280.19339142 161.3
[M]- 280.19448858 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe