CID 4050391

20197-80-2

Structural Information

Molecular Formula
C12H14N2O4
SMILES
CCOC1=C(C=C2C(=C1)C(=O)NC(=O)N2)OCC
InChI
InChI=1S/C12H14N2O4/c1-3-17-9-5-7-8(6-10(9)18-4-2)13-12(16)14-11(7)15/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKey
WIGJUGVJWIECFL-UHFFFAOYSA-N
Compound name
6,7-diethoxy-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09535 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.102626 153.0
[M+Na]+ 273.084568 163.6
[M-H]- 249.088074 153.0
[M+NH4]+ 268.129173 167.8
[M+K]+ 289.058508 159.2
[M+H-H2O]+ 233.092610 145.7
[M+HCOO]- 295.093551 171.9
[M+CH3COO]- 309.109201 189.9
[M+Na-2H]- 271.070016 159.1
[M]+ 250.09480142 156.0
[M]- 250.09589858 156.0
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.