CID 3060394

1-methyl-4-phenoxy-4-phenylpiperidine

Structural Information

Molecular Formula
C18H21NO
SMILES
CN1CCC(CC1)(C2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H21NO/c1-19-14-12-18(13-15-19,16-8-4-2-5-9-16)20-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKey
XKIDVCOJHGUBDG-UHFFFAOYSA-N
Compound name
1-methyl-4-phenoxy-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

267.16232 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 164.7
[M+Na]+ 290.15154 169.7
[M-H]- 266.15504 172.0
[M+NH4]+ 285.19614 180.8
[M+K]+ 306.12548 165.3
[M+H-H2O]+ 250.15958 154.8
[M+HCOO]- 312.16052 183.6
[M+CH3COO]- 326.17617 175.3
[M+Na-2H]- 288.13699 170.1
[M]+ 267.16177 160.6
[M]- 267.16287 160.6
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

patents stripe