CID 595585

Brn 5564642

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CCOC1=C(C=C(C=C1)CCN2CCC(=O)NC2=O)C
InChI
InChI=1S/C15H20N2O3/c1-3-20-13-5-4-12(10-11(13)2)6-8-17-9-7-14(18)16-15(17)19/h4-5,10H,3,6-9H2,1-2H3,(H,16,18,19)
InChIKey
KSDXBUICEIRYRC-UHFFFAOYSA-N
Compound name
1-[2-(4-ethoxy-3-methylphenyl)ethyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 165.4
[M+Na]+ 299.136618 172.2
[M-H]- 275.140124 167.6
[M+NH4]+ 294.181223 178.3
[M+K]+ 315.110558 167.9
[M+H-H2O]+ 259.144660 156.7
[M+HCOO]- 321.145601 181.9
[M+CH3COO]- 335.161251 198.2
[M+Na-2H]- 297.122066 166.7
[M]+ 276.14685142 164.2
[M]- 276.14794858 164.2
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.