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

218
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 179.7
[M+Na]+ 346.17776 184.7
[M-H]- 322.18126 186.0
[M+NH4]+ 341.22236 193.2
[M+K]+ 362.15170 179.6
[M+H-H2O]+ 306.18580 170.3
[M+HCOO]- 368.18674 195.5
[M+CH3COO]- 382.20239 207.2
[M+Na-2H]- 344.16321 180.8
[M]+ 323.18799 175.9
[M]- 323.18909 175.9
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