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

2
Patents

371.2249 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.23218 192.9
[M+Na]+ 394.21412 194.3
[M-H]- 370.21762 200.4
[M+NH4]+ 389.25872 201.1
[M+K]+ 410.18806 187.0
[M+H-H2O]+ 354.22216 181.2
[M+HCOO]- 416.22310 206.8
[M+CH3COO]- 430.23875 199.7
[M+Na-2H]- 392.19957 195.8
[M]+ 371.22435 185.9
[M]- 371.22545 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