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]+ 368.25841 193.2
[M+Na]+ 390.24035 193.8
[M-H]- 366.24385 198.1
[M+NH4]+ 385.28495 202.3
[M+K]+ 406.21429 189.4
[M+H-H2O]+ 350.24839 182.8
[M+HCOO]- 412.24933 205.6
[M+CH3COO]- 426.26498 217.8
[M+Na-2H]- 388.22580 190.0
[M]+ 367.25058 189.1
[M]- 367.25168 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