CID 729512

54368-19-3

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

COC(=O)CN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C11H10N2O3/c1-16-10(14)6-13-7-12-9-5-3-2-4-8(9)11(13)15/h2-5,7H,6H2,1H3

InChIKey

QKUMWDDGSYLSBF-UHFFFAOYSA-N

Compound name

methyl 2-(4-oxoquinazolin-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 1
Patents: 218.06914 Da
Monoisotopic Mass: 0.6
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]+	219.07642	144.1
[M+Na]+	241.05836	154.1
[M-H]-	217.06186	146.4
[M+NH4]+	236.10296	161.1
[M+K]+	257.03230	151.5
[M+H-H2O]+	201.06640	136.3
[M+HCOO]-	263.06734	165.2
[M+CH3COO]-	277.08299	187.2
[M+Na-2H]-	239.04381	152.0
[M]+	218.06859	147.5
[M]-	218.06969	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe