CID 1133619

25818-89-7

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

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

InChI

InChI=1S/C12H12N2O3/c15-11(16)6-3-7-14-8-13-10-5-2-1-4-9(10)12(14)17/h1-2,4-5,8H,3,6-7H2,(H,15,16)

InChIKey

YDSMKDAFGDSYPS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 232.0848 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]+	233.09208	149.9
[M+Na]+	255.07402	163.3
[M+NH4]+	250.11862	156.5
[M+K]+	271.04796	157.3
[M-H]-	231.07752	150.0
[M+Na-2H]-	253.05947	155.4
[M]+	232.08425	151.6
[M]-	232.08535	151.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.