CID 48425

Brn 0346210

Structural Information

Molecular Formula
C18H24N2O5
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CCC2=C(C(=CC=C2)OC)OC)CC
InChI
InChI=1S/C18H24N2O5/c1-5-18(6-2)15(21)19-17(23)20(16(18)22)11-10-12-8-7-9-13(24-3)14(12)25-4/h7-9H,5-6,10-11H2,1-4H3,(H,19,21,23)
InChIKey
JZOAOAHNNJCXCR-UHFFFAOYSA-N
Compound name
1-[2-(2,3-dimethoxyphenyl)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.16852 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17580 183.2
[M+Na]+ 371.15774 194.5
[M+NH4]+ 366.20234 188.6
[M+K]+ 387.13168 187.3
[M-H]- 347.16124 183.4
[M+Na-2H]- 369.14319 187.3
[M]+ 348.16797 184.7
[M]- 348.16907 184.7
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.