CID 3054091

70872-85-4

Structural Information

Molecular Formula
C19H21NO
SMILES
CCC1(CCN(C1=O)C2=CC=C(C=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO/c1-3-19(16-7-5-4-6-8-16)13-14-20(18(19)21)17-11-9-15(2)10-12-17/h4-12H,3,13-14H2,1-2H3
InChIKey
KAWSXQMLWYXLFL-UHFFFAOYSA-N
Compound name
3-ethyl-1-(4-methylphenyl)-3-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16232 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16960 168.0
[M+Na]+ 302.15154 182.7
[M+NH4]+ 297.19614 178.5
[M+K]+ 318.12548 173.6
[M-H]- 278.15504 174.1
[M+Na-2H]- 300.13699 178.7
[M]+ 279.16177 172.1
[M]- 279.16287 172.1
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.