CID 3061846

79820-10-3

Structural Information

Molecular Formula
C26H29NO
SMILES
C1CC(N(C1)CC2=CC=CC=C2)C(CC3=CC=CC=C3)(CC4=CC=CC=C4)O
InChI
InChI=1S/C26H29NO/c28-26(19-22-11-4-1-5-12-22,20-23-13-6-2-7-14-23)25-17-10-18-27(25)21-24-15-8-3-9-16-24/h1-9,11-16,25,28H,10,17-21H2
InChIKey
PEWPXEKMEQYRRJ-UHFFFAOYSA-N
Compound name
2-(1-benzylpyrrolidin-2-yl)-1,3-diphenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.2249 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.232176 192.8
[M+Na]+ 394.214118 195.3
[M-H]- 370.217624 201.2
[M+NH4]+ 389.258723 203.2
[M+K]+ 410.188058 188.0
[M+H-H2O]+ 354.222160 182.1
[M+HCOO]- 416.223101 209.2
[M+CH3COO]- 430.238751 200.6
[M+Na-2H]- 392.199566 193.9
[M]+ 371.22435142 188.3
[M]- 371.22544858 188.3
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.