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	147.0
[M+Na]+	257.05328	157.1
[M-H]-	233.05678	146.9
[M+NH4]+	252.09788	162.0
[M+K]+	273.02722	152.8
[M+H-H2O]+	217.06132	139.9
[M+HCOO]-	279.06226	165.4
[M+CH3COO]-	293.07791	185.7
[M+Na-2H]-	255.03873	153.3
[M]+	234.06351	147.9
[M]-	234.06461	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe