CID 15958386

Chembl209150

Structural Information

Molecular Formula
C22H25NO4
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C3=CC(=CC=C3)O)OC4CCCC4
InChI
InChI=1S/C22H25NO4/c1-26-20-10-9-15(11-21(20)27-19-7-2-3-8-19)16-12-22(25)23(14-16)17-5-4-6-18(24)13-17/h4-6,9-11,13,16,19,24H,2-3,7-8,12,14H2,1H3/t16-/m0/s1
InChIKey
XDMYADLDAAUMIY-INIZCTEOSA-N
Compound name
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-hydroxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.17834 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 187.0
[M+Na]+ 390.16756 192.1
[M-H]- 366.17106 197.2
[M+NH4]+ 385.21216 200.3
[M+K]+ 406.14150 187.5
[M+H-H2O]+ 350.17560 178.2
[M+HCOO]- 412.17654 205.2
[M+CH3COO]- 426.19219 196.7
[M+Na-2H]- 388.15301 182.3
[M]+ 367.17779 185.2
[M]- 367.17889 185.2
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.