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 176.3
[M+Na]+ 370.12612 184.4
[M-H]- 346.12962 184.1
[M+NH4]+ 365.17072 192.4
[M+K]+ 386.10006 182.1
[M+H-H2O]+ 330.13416 168.9
[M+HCOO]- 392.13510 194.5
[M+CH3COO]- 406.15075 211.7
[M+Na-2H]- 368.11157 175.7
[M]+ 347.13635 178.4
[M]- 347.13745 178.4
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.