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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.076416	144.3
[M+Na]+	241.058358	154.5
[M-H]-	217.061864	146.7
[M+NH4]+	236.102963	161.4
[M+K]+	257.032298	151.9
[M+H-H2O]+	201.066400	136.6
[M+HCOO]-	263.067341	165.5
[M+CH3COO]-	277.082991	186.5
[M+Na-2H]-	239.043806	152.2
[M]+	218.06859142	147.6
[M]-	218.06968858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.