CID 79777144

1-(2-methoxyphenyl)-1,3-diazinane-2,4-dione

Structural Information

Molecular Formula
C11H12N2O3
SMILES
COC1=CC=CC=C1N2CCC(=O)NC2=O
InChI
InChI=1S/C11H12N2O3/c1-16-9-5-3-2-4-8(9)13-7-6-10(14)12-11(13)15/h2-5H,6-7H2,1H3,(H,12,14,15)
InChIKey
PCUUMCBQIMQBTC-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

220.0848 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.092076 147.6
[M+Na]+ 243.074018 155.2
[M-H]- 219.077524 150.2
[M+NH4]+ 238.118623 162.4
[M+K]+ 259.047958 151.9
[M+H-H2O]+ 203.082060 139.4
[M+HCOO]- 265.083001 165.5
[M+CH3COO]- 279.098651 184.9
[M+Na-2H]- 241.059466 151.7
[M]+ 220.08425142 144.6
[M]- 220.08534858 144.6
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

patents stripe