CID 3076341

1-(4-cyclopropylphenyl)-1-phenyl-3-(1-piperidinyl)propanol hydrochloride

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]+ 336.23218 178.9
[M+Na]+ 358.21412 182.5
[M-H]- 334.21762 187.2
[M+NH4]+ 353.25872 184.9
[M+K]+ 374.18806 176.8
[M+H-H2O]+ 318.22216 169.0
[M+HCOO]- 380.22310 194.2
[M+CH3COO]- 394.23875 186.7
[M+Na-2H]- 356.19957 181.8
[M]+ 335.22435 175.0
[M]- 335.22545 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.