CID 97333

1-benzyl-4-phenylpiperidin-4-ol

Structural Information

Molecular Formula
C18H21NO
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CC3=CC=CC=C3
InChI
InChI=1S/C18H21NO/c20-18(17-9-5-2-6-10-17)11-13-19(14-12-18)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2
InChIKey
FCLMXEAPEVBCKQ-UHFFFAOYSA-N
Compound name
1-benzyl-4-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

186
Patents

267.16232 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 165.0
[M+Na]+ 290.15154 169.5
[M-H]- 266.15504 170.9
[M+NH4]+ 285.19614 180.4
[M+K]+ 306.12548 164.3
[M+H-H2O]+ 250.15958 155.5
[M+HCOO]- 312.16052 182.4
[M+CH3COO]- 326.17617 174.9
[M+Na-2H]- 288.13699 170.0
[M]+ 267.16177 159.1
[M]- 267.16287 159.1
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