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]+ 296.200876 173.6
[M+Na]+ 318.182818 178.2
[M-H]- 294.186324 179.5
[M+NH4]+ 313.227423 188.2
[M+K]+ 334.156758 172.6
[M+H-H2O]+ 278.190860 163.9
[M+HCOO]- 340.191801 190.3
[M+CH3COO]- 354.207451 183.0
[M+Na-2H]- 316.168266 176.8
[M]+ 295.19305142 168.8
[M]- 295.19414858 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.