CID 20385

Myfadol hydrochloride

Structural Information

Molecular Formula
C21H25NO2
SMILES
CC1C(CCCN1CC(=O)C2=CC=CC=C2)(C)C3=CC(=CC=C3)O
InChI
InChI=1S/C21H25NO2/c1-16-21(2,18-10-6-11-19(23)14-18)12-7-13-22(16)15-20(24)17-8-4-3-5-9-17/h3-6,8-11,14,16,23H,7,12-13,15H2,1-2H3
InChIKey
XMSWGYQEWPUOKA-UHFFFAOYSA-N
Compound name
2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

323.18854 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 180.3
[M+Na]+ 346.17776 194.3
[M+NH4]+ 341.22236 189.6
[M+K]+ 362.15170 184.3
[M-H]- 322.18126 185.9
[M+Na-2H]- 344.16321 190.2
[M]+ 323.18799 184.1
[M]- 323.18909 184.1
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