CID 135437466

Ethyl 4-oxo-3,4-dihydroquinazoline-2-carboxylate

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CCOC(=O)C1=NC2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C11H10N2O3/c1-2-16-11(15)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6H,2H2,1H3,(H,12,13,14)
InChIKey
BMCAWNQKVVTNFP-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-3H-quinazoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

100
Patents

218.06914 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 144.7
[M+Na]+ 241.05836 154.4
[M-H]- 217.06186 145.7
[M+NH4]+ 236.10296 161.0
[M+K]+ 257.03230 150.8
[M+H-H2O]+ 201.06640 137.2
[M+HCOO]- 263.06734 164.4
[M+CH3COO]- 277.08299 184.7
[M+Na-2H]- 239.04381 152.2
[M]+ 218.06859 146.3
[M]- 218.06969 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe