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]+ 368.258406 193.7
[M+Na]+ 390.240348 194.6
[M-H]- 366.243854 198.5
[M+NH4]+ 385.284953 202.8
[M+K]+ 406.214288 189.5
[M+H-H2O]+ 350.248390 183.0
[M+HCOO]- 412.249331 207.1
[M+CH3COO]- 426.264981 216.9
[M+Na-2H]- 388.225796 191.6
[M]+ 367.25058142 190.1
[M]- 367.25167858 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.