CID 214155

27779-24-4

Structural Information

Molecular Formula
C26H29NO2
SMILES
C1CCN(C1)CC(COC2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C26H29NO2/c28-26(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24(20-27-18-10-11-19-27)21-29-25-16-8-3-9-17-25/h1-9,12-17,24,28H,10-11,18-21H2
InChIKey
JPLFQEQZXFKKDW-UHFFFAOYSA-N
Compound name
2-(phenoxymethyl)-1,1-diphenyl-3-pyrrolidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.21982 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.227096 195.2
[M+Na]+ 410.209038 196.2
[M-H]- 386.212544 203.3
[M+NH4]+ 405.253643 204.4
[M+K]+ 426.182978 190.2
[M+H-H2O]+ 370.217080 184.4
[M+HCOO]- 432.218021 210.8
[M+CH3COO]- 446.233671 202.4
[M+Na-2H]- 408.194486 196.1
[M]+ 387.21927142 191.1
[M]- 387.22036858 191.1
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.