CID 59659

2-azaspiro(4,5)decane-1,3,4-trione, 2-(3',4',5'-trimethoxyphenyl)-

Structural Information

Molecular Formula
C18H21NO6
SMILES
COC1=CC(=CC(=C1OC)OC)N2C(=O)C(=O)C3(C2=O)CCCCC3
InChI
InChI=1S/C18H21NO6/c1-23-12-9-11(10-13(24-2)14(12)25-3)19-16(21)15(20)18(17(19)22)7-5-4-6-8-18/h9-10H,4-8H2,1-3H3
InChIKey
CBNIAMSMWQGIDT-UHFFFAOYSA-N
Compound name
2-(3,4,5-trimethoxyphenyl)-2-azaspiro[4.5]decane-1,3,4-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1369 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14418 179.8
[M+Na]+ 370.12612 190.4
[M+NH4]+ 365.17072 186.7
[M+K]+ 386.10006 185.4
[M-H]- 346.12962 181.8
[M+Na-2H]- 368.11157 184.3
[M]+ 347.13635 181.7
[M]- 347.13745 181.7
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.