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
5
Annotation Hits

0
References

5
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 173.4
[M+Na]+ 340.15194 181.2
[M-H]- 316.15544 178.5
[M+NH4]+ 335.19654 191.6
[M+K]+ 356.12588 176.5
[M+H-H2O]+ 300.15998 167.2
[M+HCOO]- 362.16092 188.2
[M+CH3COO]- 376.17657 201.6
[M+Na-2H]- 338.13739 173.4
[M]+ 317.16217 169.8
[M]- 317.16327 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.