CID 207442

30060-47-0

Structural Information

Molecular Formula
C12H14N2O4
SMILES
COC1=CC=CC(=C1)CON2CCC(=O)NC2=O
InChI
InChI=1S/C12H14N2O4/c1-17-10-4-2-3-9(7-10)8-18-14-6-5-11(15)13-12(14)16/h2-4,7H,5-6,8H2,1H3,(H,13,15,16)
InChIKey
SDCLUIWJEWWXIH-UHFFFAOYSA-N
Compound name
1-[(3-methoxyphenyl)methoxy]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09535 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.102626 154.7
[M+Na]+ 273.084568 161.6
[M-H]- 249.088074 157.0
[M+NH4]+ 268.129173 168.1
[M+K]+ 289.058508 158.7
[M+H-H2O]+ 233.092610 146.0
[M+HCOO]- 295.093551 172.4
[M+CH3COO]- 309.109201 190.1
[M+Na-2H]- 271.070016 158.3
[M]+ 250.09480142 153.4
[M]- 250.09589858 153.4
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.