CID 3024927

Sr 41773

Structural Information

Molecular Formula
C19H21NO3
SMILES
COC1=C(C=C(C=C1)CC2CC(C(=O)N2)C3=CC=CC=C3)OC
InChI
InChI=1S/C19H21NO3/c1-22-17-9-8-13(11-18(17)23-2)10-15-12-16(19(21)20-15)14-6-4-3-5-7-14/h3-9,11,15-16H,10,12H2,1-2H3,(H,20,21)
InChIKey
AYQOTQPAHNJUAC-UHFFFAOYSA-N
Compound name
5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15213 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 175.4
[M+Na]+ 334.14135 188.7
[M+NH4]+ 329.18595 182.8
[M+K]+ 350.11529 182.9
[M-H]- 310.14485 180.0
[M+Na-2H]- 332.12680 182.7
[M]+ 311.15158 178.5
[M]- 311.15268 178.5
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.