CID 600579

Brn 5571633

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCCOC1=C(C=C(C=C1)CCN2CCC(=O)NC2=O)C
InChI
InChI=1S/C16H22N2O3/c1-3-10-21-14-5-4-13(11-12(14)2)6-8-18-9-7-15(19)17-16(18)20/h4-5,11H,3,6-10H2,1-2H3,(H,17,19,20)
InChIKey
ALKFOYXLMFQGBN-UHFFFAOYSA-N
Compound name
1-[2-(3-methyl-4-propoxyphenyl)ethyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

290.16306 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 169.9
[M+Na]+ 313.15228 176.1
[M-H]- 289.15578 171.9
[M+NH4]+ 308.19688 182.1
[M+K]+ 329.12622 171.7
[M+H-H2O]+ 273.16032 160.9
[M+HCOO]- 335.16126 186.0
[M+CH3COO]- 349.17691 201.2
[M+Na-2H]- 311.13773 170.6
[M]+ 290.16251 169.0
[M]- 290.16361 169.0
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

No patent data available for this compound.