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]+ 353.18596 183.8
[M+Na]+ 375.16790 189.0
[M-H]- 351.17140 193.7
[M+NH4]+ 370.21250 196.7
[M+K]+ 391.14184 184.6
[M+H-H2O]+ 335.17594 173.5
[M+HCOO]- 397.17688 202.3
[M+CH3COO]- 411.19253 193.6
[M+Na-2H]- 373.15335 180.2
[M]+ 352.17813 182.0
[M]- 352.17923 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.