CID 3241251

115948-87-3

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₄

SMILES

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

InChI

InChI=1S/C12H12N2O4/c15-10(16)6-3-7-14-11(17)8-4-1-2-5-9(8)13-12(14)18/h1-2,4-5H,3,6-7H2,(H,13,18)(H,15,16)

InChIKey

BTFBXFKMCKLOBG-UHFFFAOYSA-N

Compound name

4-(2,4-dioxo-1H-quinazolin-3-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 11
Patents: 248.07971 Da
Monoisotopic Mass: 0.5
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]+	249.08699	152.9
[M+Na]+	271.06893	165.7
[M+NH4]+	266.11353	158.3
[M+K]+	287.04287	160.7
[M-H]-	247.07243	151.8
[M+Na-2H]-	269.05438	157.0
[M]+	248.07916	154.1
[M]-	248.08026	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe