CID 804238

(1-benzyl-4-phenylpiperidin-4-yl)methanamine

Structural Information

Molecular Formula
C19H24N2
SMILES
C1CN(CCC1(CN)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H24N2/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10H,11-16,20H2
InChIKey
KNLXJOKXXMNECJ-UHFFFAOYSA-N
Compound name
(1-benzyl-4-phenylpiperidin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

79
Patents

280.19394 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20122 169.2
[M+Na]+ 303.18316 173.0
[M-H]- 279.18666 175.7
[M+NH4]+ 298.22776 184.2
[M+K]+ 319.15710 167.4
[M+H-H2O]+ 263.19120 159.1
[M+HCOO]- 325.19214 188.0
[M+CH3COO]- 339.20779 178.7
[M+Na-2H]- 301.16861 173.6
[M]+ 280.19339 162.4
[M]- 280.19449 162.4
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