CID 214091

27674-61-9

Structural Information

Molecular Formula
C27H31NO2
SMILES
C1CCN(CC1)CC(COC2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C27H31NO2/c29-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25(21-28-19-11-4-12-20-28)22-30-26-17-9-3-10-18-26/h1-3,5-10,13-18,25,29H,4,11-12,19-22H2
InChIKey
LFALLMVPNYEPOH-UHFFFAOYSA-N
Compound name
2-(phenoxymethyl)-1,1-diphenyl-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.23547 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.242746 199.3
[M+Na]+ 424.224688 198.7
[M-H]- 400.228194 206.2
[M+NH4]+ 419.269293 205.6
[M+K]+ 440.198628 192.5
[M+H-H2O]+ 384.232730 187.2
[M+HCOO]- 446.233671 212.0
[M+CH3COO]- 460.249321 205.0
[M+Na-2H]- 422.210136 201.4
[M]+ 401.23492142 192.9
[M]- 401.23601858 192.9
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

No patent data available for this compound.