CID 201048

3-(3-(1-benzoylmethyl-2-methyl-3-propyl)piperidyl)phenol hydrochloride

Structural Information

Molecular Formula
C23H29NO2
SMILES
CCCC1(CCCN(C1C)CC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C23H29NO2/c1-3-13-23(20-11-7-12-21(25)16-20)14-8-15-24(18(23)2)17-22(26)19-9-5-4-6-10-19/h4-7,9-12,16,18,25H,3,8,13-15,17H2,1-2H3
InChIKey
RIXUNGIKWLXPMC-UHFFFAOYSA-N
Compound name
2-[3-(3-hydroxyphenyl)-2-methyl-3-propylpiperidin-1-yl]-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.21982 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.227096 188.5
[M+Na]+ 374.209038 192.6
[M-H]- 350.212544 194.4
[M+NH4]+ 369.253643 200.8
[M+K]+ 390.182978 187.0
[M+H-H2O]+ 334.217080 178.6
[M+HCOO]- 396.218021 203.6
[M+CH3COO]- 410.233671 213.1
[M+Na-2H]- 372.194486 188.5
[M]+ 351.21927142 185.3
[M]- 351.22036858 185.3
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