CID 3039662

50910-35-5

Structural Information

Molecular Formula
C26H29NO
SMILES
C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C26H29NO/c28-26(24-12-6-2-7-13-24,18-21-27-19-8-3-9-20-27)25-16-14-23(15-17-25)22-10-4-1-5-11-22/h1-2,4-7,10-17,28H,3,8-9,18-21H2
InChIKey
HZJJZMJOAZZCFI-UHFFFAOYSA-N
Compound name
1-phenyl-1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

371.2249 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.232176 192.9
[M+Na]+ 394.214118 194.3
[M-H]- 370.217624 200.4
[M+NH4]+ 389.258723 201.1
[M+K]+ 410.188058 187.0
[M+H-H2O]+ 354.222160 181.2
[M+HCOO]- 416.223101 206.8
[M+CH3COO]- 430.238751 199.7
[M+Na-2H]- 392.199566 195.8
[M]+ 371.22435142 185.9
[M]- 371.22544858 185.9
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