CID 15958384

Chembl377446

Structural Information

Molecular Formula
C18H23NO4
SMILES
CC(=O)N1C[C@H](CC1=O)C2=CC(=C(C=C2)OC)OC3CCCC3
InChI
InChI=1S/C18H23NO4/c1-12(20)19-11-14(10-18(19)21)13-7-8-16(22-2)17(9-13)23-15-5-3-4-6-15/h7-9,14-15H,3-6,10-11H2,1-2H3/t14-/m0/s1
InChIKey
PHVDTFJIZIEPPO-AWEZNQCLSA-N
Compound name
(4R)-1-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.16272 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 175.0
[M+Na]+ 340.15194 180.3
[M-H]- 316.15544 183.3
[M+NH4]+ 335.19654 191.3
[M+K]+ 356.12588 177.7
[M+H-H2O]+ 300.15998 167.4
[M+HCOO]- 362.16092 194.1
[M+CH3COO]- 376.17657 205.4
[M+Na-2H]- 338.13739 170.5
[M]+ 317.16217 174.5
[M]- 317.16327 174.5
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.