CID 71016

1207-75-6

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₃

SMILES

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

InChI

InChI=1S/C10H10N2O3/c13-6-5-12-9(14)7-3-1-2-4-8(7)11-10(12)15/h1-4,13H,5-6H2,(H,11,15)

InChIKey

DSUNWRHRAQZLNC-UHFFFAOYSA-N

Compound name

3-(2-hydroxyethyl)-1H-quinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 206.06914 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]+	207.07642	141.0
[M+Na]+	229.05836	151.8
[M-H]-	205.06186	141.0
[M+NH4]+	224.10296	157.4
[M+K]+	245.03230	147.1
[M+H-H2O]+	189.06640	134.1
[M+HCOO]-	251.06734	160.4
[M+CH3COO]-	265.08299	180.4
[M+Na-2H]-	227.04381	148.9
[M]+	206.06859	141.5
[M]-	206.06969	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe