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]+ 294.185256 170.3
[M+Na]+ 316.167198 178.5
[M-H]- 292.170704 179.1
[M+NH4]+ 311.211803 188.4
[M+K]+ 332.141138 173.2
[M+H-H2O]+ 276.175240 161.9
[M+HCOO]- 338.176181 191.1
[M+CH3COO]- 352.191831 204.3
[M+Na-2H]- 314.152646 171.1
[M]+ 293.17743142 169.8
[M]- 293.17852858 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.