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]+ 280.169596 166.5
[M+Na]+ 302.151538 174.3
[M-H]- 278.155044 175.1
[M+NH4]+ 297.196143 184.8
[M+K]+ 318.125478 169.1
[M+H-H2O]+ 262.159580 158.0
[M+HCOO]- 324.160521 187.7
[M+CH3COO]- 338.176171 178.5
[M+Na-2H]- 300.136986 168.4
[M]+ 279.16177142 165.3
[M]- 279.16286858 165.3
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.