CID 201701

3-(3-(3-methyl-1-phenethylpiperidinyl))phenol, oxalate

Structural Information

Molecular Formula
C20H25NO
SMILES
CC1(CCCN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
InChIKey
QAJCKAPTERIRDY-UHFFFAOYSA-N
Compound name
3-[3-methyl-1-(2-phenylethyl)piperidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.1936 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 173.6
[M+Na]+ 318.18282 178.2
[M-H]- 294.18632 179.5
[M+NH4]+ 313.22742 188.2
[M+K]+ 334.15676 172.6
[M+H-H2O]+ 278.19086 163.9
[M+HCOO]- 340.19180 190.3
[M+CH3COO]- 354.20745 183.0
[M+Na-2H]- 316.16827 176.8
[M]+ 295.19305 168.8
[M]- 295.19415 168.8
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

No patent data available for this compound.