CID 11972057

Rc 61-99 hydrochloride

Structural Information

Molecular Formula
C24H33NO2
SMILES
CC(C)OC1=CC=C(C=C1)C(C(C)N2CCC(CC2)CC3=CC=CC=C3)O
InChI
InChI=1S/C24H33NO2/c1-18(2)27-23-11-9-22(10-12-23)24(26)19(3)25-15-13-21(14-16-25)17-20-7-5-4-6-8-20/h4-12,18-19,21,24,26H,13-17H2,1-3H3
InChIKey
XZGKFFRIKFKFQA-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperidin-1-yl)-1-(4-propan-2-yloxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

367.25113 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.258406 193.2
[M+Na]+ 390.240348 193.8
[M-H]- 366.243854 198.1
[M+NH4]+ 385.284953 202.3
[M+K]+ 406.214288 189.4
[M+H-H2O]+ 350.248390 182.8
[M+HCOO]- 412.249331 205.6
[M+CH3COO]- 426.264981 217.8
[M+Na-2H]- 388.225796 190.0
[M]+ 367.25058142 189.1
[M]- 367.25167858 189.1
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