CID 15958387

Chembl212211

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CN(C)C1=CC=CC(=C1)N2C[C@H](CC2=O)C3=CC(=C(C=C3)OC)OC4CCCC4
InChI
InChI=1S/C24H30N2O3/c1-25(2)19-7-6-8-20(15-19)26-16-18(14-24(26)27)17-11-12-22(28-3)23(13-17)29-21-9-4-5-10-21/h6-8,11-13,15,18,21H,4-5,9-10,14,16H2,1-3H3/t18-/m0/s1
InChIKey
JFRBYGXOHCJOKX-SFHVURJKSA-N
Compound name
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-(dimethylamino)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.22565 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.23293 196.0
[M+Na]+ 417.21487 199.9
[M-H]- 393.21837 208.6
[M+NH4]+ 412.25947 209.2
[M+K]+ 433.18881 196.5
[M+H-H2O]+ 377.22291 186.2
[M+HCOO]- 439.22385 216.4
[M+CH3COO]- 453.23950 226.9
[M+Na-2H]- 415.20032 190.6
[M]+ 394.22510 195.8
[M]- 394.22620 195.8
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.