CID 10021761

Chembl210476

Structural Information

Molecular Formula
C23H27NO3
SMILES
CC1=CC=C(C=C1)N2C[C@H](CC2=O)C3=CC(=C(C=C3)OC)OC4CCCC4
InChI
InChI=1S/C23H27NO3/c1-16-7-10-19(11-8-16)24-15-18(14-23(24)25)17-9-12-21(26-2)22(13-17)27-20-5-3-4-6-20/h7-13,18,20H,3-6,14-15H2,1-2H3/t18-/m0/s1
InChIKey
NAEOZGVJWOAYEW-SFHVURJKSA-N
Compound name
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.1991 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20638 188.9
[M+Na]+ 388.18832 194.2
[M-H]- 364.19182 200.3
[M+NH4]+ 383.23292 203.1
[M+K]+ 404.16226 189.5
[M+H-H2O]+ 348.19636 179.7
[M+HCOO]- 410.19730 208.1
[M+CH3COO]- 424.21295 199.0
[M+Na-2H]- 386.17377 183.8
[M]+ 365.19855 187.7
[M]- 365.19965 187.7
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.