CID 215193

35182-91-3

Structural Information

Molecular Formula
C24H33NO2
SMILES
CCCOC1=CC=C(C=C1)C(C(C)N2CCC(CC2)CC3=CC=CC=C3)O
InChI
InChI=1S/C24H33NO2/c1-3-17-27-23-11-9-22(10-12-23)24(26)19(2)25-15-13-21(14-16-25)18-20-7-5-4-6-8-20/h4-12,19,21,24,26H,3,13-18H2,1-2H3
InChIKey
YQIIIVFFEWMGQR-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.25113 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.25841 193.7
[M+Na]+ 390.24035 194.6
[M-H]- 366.24385 198.5
[M+NH4]+ 385.28495 202.8
[M+K]+ 406.21429 189.5
[M+H-H2O]+ 350.24839 183.0
[M+HCOO]- 412.24933 207.1
[M+CH3COO]- 426.26498 216.9
[M+Na-2H]- 388.22580 191.6
[M]+ 367.25058 190.1
[M]- 367.25168 190.1
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

No patent data available for this compound.