CID 650896

25818-88-6

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)O

InChI

InChI=1S/C11H10N2O3/c14-10(15)5-6-13-7-12-9-4-2-1-3-8(9)11(13)16/h1-4,7H,5-6H2,(H,14,15)

InChIKey

AMEGJBZWDKOWDQ-UHFFFAOYSA-N

Compound name

3-(4-oxoquinazolin-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 0
Patents: 218.06914 Da
Monoisotopic Mass: 0.2
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]+	219.07642	145.4
[M+Na]+	241.05836	159.0
[M+NH4]+	236.10296	152.1
[M+K]+	257.03230	153.3
[M-H]-	217.06186	145.6
[M+Na-2H]-	239.04381	151.2
[M]+	218.06859	147.2
[M]-	218.06969	147.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.