CID 15958397

Chembl378318

Structural Information

Molecular Formula
C21H24N2O3
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C3=CC=NC=C3)OC4CCCC4
InChI
InChI=1S/C21H24N2O3/c1-25-19-7-6-15(12-20(19)26-18-4-2-3-5-18)16-13-21(24)23(14-16)17-8-10-22-11-9-17/h6-12,16,18H,2-5,13-14H2,1H3/t16-/m0/s1
InChIKey
WJSLBDXTOJGHQS-INIZCTEOSA-N
Compound name
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-pyridin-4-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
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

patents stripe