CID 3076341

130820-46-1

Structural Information

Molecular Formula
C23H29NO
SMILES
C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=C(C=C3)C4CC4)O
InChI
InChI=1S/C23H29NO/c25-23(21-7-3-1-4-8-21,15-18-24-16-5-2-6-17-24)22-13-11-20(12-14-22)19-9-10-19/h1,3-4,7-8,11-14,19,25H,2,5-6,9-10,15-18H2
InChIKey
GZUDNCQEOHGFEE-UHFFFAOYSA-N
Compound name
1-(4-cyclopropylphenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 178.9
[M+Na]+ 358.214118 182.5
[M-H]- 334.217624 187.2
[M+NH4]+ 353.258723 184.9
[M+K]+ 374.188058 176.8
[M+H-H2O]+ 318.222160 169.0
[M+HCOO]- 380.223101 194.2
[M+CH3COO]- 394.238751 186.7
[M+Na-2H]- 356.199566 181.8
[M]+ 335.22435142 175.0
[M]- 335.22544858 175.0
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.