CID 15958396

Chembl208715

Structural Information

Molecular Formula
C21H24N2O3
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C3=CN=CC=C3)OC4CCCC4
InChI
InChI=1S/C21H24N2O3/c1-25-19-9-8-15(11-20(19)26-18-6-2-3-7-18)16-12-21(24)23(14-16)17-5-4-10-22-13-17/h4-5,8-11,13,16,18H,2-3,6-7,12,14H2,1H3/t16-/m0/s1
InChIKey
ZPUOBTSDPIFTEJ-INIZCTEOSA-N
Compound name
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-3-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.17868 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.185956 183.8
[M+Na]+ 375.167898 189.0
[M-H]- 351.171404 193.7
[M+NH4]+ 370.212503 196.7
[M+K]+ 391.141838 184.6
[M+H-H2O]+ 335.175940 173.5
[M+HCOO]- 397.176881 202.3
[M+CH3COO]- 411.192531 193.6
[M+Na-2H]- 373.153346 180.2
[M]+ 352.17813142 182.0
[M]- 352.17922858 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.