CID 107347

4879-41-8

Structural Information

Molecular Formula
C19H21NO
SMILES
C1CCN(C1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO/c21-19(17-11-5-2-6-12-17)18(15-20-13-7-8-14-20)16-9-3-1-4-10-16/h1-6,9-12,18H,7-8,13-15H2
InChIKey
RKMMNJJFYFRSOY-UHFFFAOYSA-N
Compound name
1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

279.16232 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16960 167.9
[M+Na]+ 302.15154 171.0
[M-H]- 278.15504 175.0
[M+NH4]+ 297.19614 182.9
[M+K]+ 318.12548 166.6
[M+H-H2O]+ 262.15958 158.5
[M+HCOO]- 324.16052 186.9
[M+CH3COO]- 338.17617 177.9
[M+Na-2H]- 300.13699 168.5
[M]+ 279.16177 163.9
[M]- 279.16287 163.9
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

patents stripe