CID 71312325

1172134-11-0

Structural Information

Molecular Formula
C18H23NO4
SMILES
CC1=CC(=C(C=C1)C)C2(C(=O)C3(CCC(CC3)OC)NC2=O)O
InChI
InChI=1S/C18H23NO4/c1-11-4-5-12(2)14(10-11)18(22)15(20)17(19-16(18)21)8-6-13(23-3)7-9-17/h4-5,10,13,22H,6-9H2,1-3H3,(H,19,21)
InChIKey
XOVCVOLJZHNHLA-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

6
Patents

317.16272 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 174.5
[M+Na]+ 340.15194 184.8
[M+NH4]+ 335.19654 183.7
[M+K]+ 356.12588 177.5
[M-H]- 316.15544 176.7
[M+Na-2H]- 338.13739 180.7
[M]+ 317.16217 176.6
[M]- 317.16327 176.6
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

patents stripe