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]+ 294.18526 172.0
[M+Na]+ 316.16720 175.5
[M-H]- 292.17070 179.1
[M+NH4]+ 311.21180 186.6
[M+K]+ 332.14114 170.8
[M+H-H2O]+ 276.17524 162.9
[M+HCOO]- 338.17618 190.1
[M+CH3COO]- 352.19183 201.5
[M+Na-2H]- 314.15265 174.0
[M]+ 293.17743 168.5
[M]- 293.17853 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.