CID 3058904

Brn 4444994

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

CN(C)N1C(=O)C2=CC=CC=C2NC1=O

InChI

InChI=1S/C10H11N3O2/c1-12(2)13-9(14)7-5-3-4-6-8(7)11-10(13)15/h3-6H,1-2H3,(H,11,15)

InChIKey

DDXYEAZJCJNNCV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.08513 Da
Monoisotopic Mass: 0.9
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]+	206.09241	140.9
[M+Na]+	228.07435	151.5
[M-H]-	204.07785	143.8
[M+NH4]+	223.11895	158.5
[M+K]+	244.04829	148.5
[M+H-H2O]+	188.08239	133.4
[M+HCOO]-	250.08333	163.2
[M+CH3COO]-	264.09898	189.0
[M+Na-2H]-	226.05980	149.0
[M]+	205.08458	142.3
[M]-	205.08568	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe