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 173.5
[M+Na]+ 334.14135 180.3
[M-H]- 310.14485 180.7
[M+NH4]+ 329.18595 187.8
[M+K]+ 350.11529 175.3
[M+H-H2O]+ 294.14939 164.7
[M+HCOO]- 356.15033 193.4
[M+CH3COO]- 370.16598 203.5
[M+Na-2H]- 332.12680 173.4
[M]+ 311.15158 173.4
[M]- 311.15268 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.