CID 9571029

4(3h)-quinazolinone, 3-(ethoxymethyleneamino)-

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CCO/C=N/N1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H11N3O2/c1-2-16-8-13-14-7-12-10-6-4-3-5-9(10)11(14)15/h3-8H,2H2,1H3/b13-8+
InChIKey
LLVMHLZYKXPCBA-MDWZMJQESA-N
Compound name
ethyl (1E)-N-(4-oxoquinazolin-3-yl)methanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.092406 144.5
[M+Na]+ 240.074348 154.5
[M-H]- 216.077854 148.0
[M+NH4]+ 235.118953 162.0
[M+K]+ 256.048288 151.5
[M+H-H2O]+ 200.082390 136.0
[M+HCOO]- 262.083331 169.0
[M+CH3COO]- 276.098981 191.7
[M+Na-2H]- 238.059796 154.4
[M]+ 217.08458142 148.2
[M]- 217.08567858 148.2
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.