CID 207442

Brn 0801583

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]+ 251.10263 154.7
[M+Na]+ 273.08457 161.6
[M-H]- 249.08807 157.0
[M+NH4]+ 268.12917 168.1
[M+K]+ 289.05851 158.7
[M+H-H2O]+ 233.09261 146.0
[M+HCOO]- 295.09355 172.4
[M+CH3COO]- 309.10920 190.1
[M+Na-2H]- 271.07002 158.3
[M]+ 250.09480 153.4
[M]- 250.09590 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.