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]+ 388.22710 195.2
[M+Na]+ 410.20904 196.2
[M-H]- 386.21254 203.3
[M+NH4]+ 405.25364 204.4
[M+K]+ 426.18298 190.2
[M+H-H2O]+ 370.21708 184.4
[M+HCOO]- 432.21802 210.8
[M+CH3COO]- 446.23367 202.4
[M+Na-2H]- 408.19449 196.1
[M]+ 387.21927 191.1
[M]- 387.22037 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.