CID 3054090

70872-84-3

Structural Information

Molecular Formula
C20H23NO
SMILES
CCC1(CC(N(C1=O)C2=CC=C(C=C2)C)C)C3=CC=CC=C3
InChI
InChI=1S/C20H23NO/c1-4-20(17-8-6-5-7-9-17)14-16(3)21(19(20)22)18-12-10-15(2)11-13-18/h5-13,16H,4,14H2,1-3H3
InChIKey
JUTWSYCLNGLLCO-UHFFFAOYSA-N
Compound name
3-ethyl-5-methyl-1-(4-methylphenyl)-3-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 170.3
[M+Na]+ 316.16720 178.5
[M-H]- 292.17070 179.1
[M+NH4]+ 311.21180 188.4
[M+K]+ 332.14114 173.2
[M+H-H2O]+ 276.17524 161.9
[M+HCOO]- 338.17618 191.1
[M+CH3COO]- 352.19183 204.3
[M+Na-2H]- 314.15265 171.1
[M]+ 293.17743 169.8
[M]- 293.17853 169.8
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.