CID 3058993

2,4(1h,3h)-quinazolinedione, 3-(4-morpholinyl)-

Structural Information

Molecular Formula
C12H13N3O3
SMILES
C1COCCN1N2C(=O)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C12H13N3O3/c16-11-9-3-1-2-4-10(9)13-12(17)15(11)14-5-7-18-8-6-14/h1-4H,5-8H2,(H,13,17)
InChIKey
WSLWEOXHHQNVGR-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09569 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10297 154.0
[M+Na]+ 270.08491 162.7
[M-H]- 246.08841 156.7
[M+NH4]+ 265.12951 165.9
[M+K]+ 286.05885 158.9
[M+H-H2O]+ 230.09295 144.3
[M+HCOO]- 292.09389 168.9
[M+CH3COO]- 306.10954 164.8
[M+Na-2H]- 268.07036 161.0
[M]+ 247.09514 151.1
[M]- 247.09624 151.1
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.