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]+ 402.24275 199.3
[M+Na]+ 424.22469 198.7
[M-H]- 400.22819 206.2
[M+NH4]+ 419.26929 205.6
[M+K]+ 440.19863 192.5
[M+H-H2O]+ 384.23273 187.2
[M+HCOO]- 446.23367 212.0
[M+CH3COO]- 460.24932 205.0
[M+Na-2H]- 422.21014 201.4
[M]+ 401.23492 192.9
[M]- 401.23602 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.