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]+ 312.159406 173.5
[M+Na]+ 334.141348 180.3
[M-H]- 310.144854 180.7
[M+NH4]+ 329.185953 187.8
[M+K]+ 350.115288 175.3
[M+H-H2O]+ 294.149390 164.7
[M+HCOO]- 356.150331 193.4
[M+CH3COO]- 370.165981 203.5
[M+Na-2H]- 332.126796 173.4
[M]+ 311.15158142 173.4
[M]- 311.15267858 173.4
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.