CID 218134

40281-23-0

Structural Information

Molecular Formula
C20H23NO
SMILES
CC(CN1CCCC1)(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H23NO/c1-20(16-21-14-8-9-15-21,18-12-6-3-7-13-18)19(22)17-10-4-2-5-11-17/h2-7,10-13H,8-9,14-16H2,1H3
InChIKey
XDGWPUJRIVBDHJ-UHFFFAOYSA-N
Compound name
2-methyl-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.185256 172.0
[M+Na]+ 316.167198 175.5
[M-H]- 292.170704 179.1
[M+NH4]+ 311.211803 186.6
[M+K]+ 332.141138 170.8
[M+H-H2O]+ 276.175240 162.9
[M+HCOO]- 338.176181 190.1
[M+CH3COO]- 352.191831 201.5
[M+Na-2H]- 314.152646 174.0
[M]+ 293.17743142 168.5
[M]- 293.17852858 168.5
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.