CID 204461

Brn 0789726

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CCOC(=O)N1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H10N2O3/c1-2-16-11(15)13-7-12-9-6-4-3-5-8(9)10(13)14/h3-7H,2H2,1H3
InChIKey
BLZKMNWNLOMMAY-UHFFFAOYSA-N
Compound name
ethyl 4-oxoquinazoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06914 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 144.3
[M+Na]+ 241.05836 154.5
[M-H]- 217.06186 146.7
[M+NH4]+ 236.10296 161.4
[M+K]+ 257.03230 151.9
[M+H-H2O]+ 201.06640 136.6
[M+HCOO]- 263.06734 165.5
[M+CH3COO]- 277.08299 186.5
[M+Na-2H]- 239.04381 152.2
[M]+ 218.06859 147.6
[M]- 218.06969 147.6
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.