CID 15958385

Chembl212307

Structural Information

Molecular Formula
C23H25NO4
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C(=O)C3=CC=CC=C3)OC4CCCC4
InChI
InChI=1S/C23H25NO4/c1-27-20-12-11-17(13-21(20)28-19-9-5-6-10-19)18-14-22(25)24(15-18)23(26)16-7-3-2-4-8-16/h2-4,7-8,11-13,18-19H,5-6,9-10,14-15H2,1H3/t18-/m0/s1
InChIKey
OPUDYHKIBWHQGF-SFHVURJKSA-N
Compound name
(4R)-1-benzoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.17834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 191.0
[M+Na]+ 402.16756 195.2
[M-H]- 378.17106 202.2
[M+NH4]+ 397.21216 204.1
[M+K]+ 418.14150 191.2
[M+H-H2O]+ 362.17560 181.8
[M+HCOO]- 424.17654 209.6
[M+CH3COO]- 438.19219 216.2
[M+Na-2H]- 400.15301 185.7
[M]+ 379.17779 189.5
[M]- 379.17889 189.5
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.