CID 4604819

148673-98-7

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₄

SMILES

C1=CC=C2C(=C1)C(=O)NC(=O)N2CCC(=O)O

InChI

InChI=1S/C11H10N2O4/c14-9(15)5-6-13-8-4-2-1-3-7(8)10(16)12-11(13)17/h1-4H,5-6H2,(H,14,15)(H,12,16,17)

InChIKey

JVMIILRABUCELC-UHFFFAOYSA-N

Compound name

3-(2,4-dioxoquinazolin-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.06406 Da
Monoisotopic Mass: 0.1
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]+	235.07134	148.5
[M+Na]+	257.05328	161.4
[M+NH4]+	252.09788	154.0
[M+K]+	273.02722	156.7
[M-H]-	233.05678	147.4
[M+Na-2H]-	255.03873	152.8
[M]+	234.06351	149.7
[M]-	234.06461	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe