CID 3058909

Brn 4463987

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

CN1C2=CC=CC=C2C(=O)N(C1=O)N(C)C

InChI

InChI=1S/C11H13N3O2/c1-12(2)14-10(15)8-6-4-5-7-9(8)13(3)11(14)16/h4-7H,1-3H3

InChIKey

PJXSTALIWGBCTE-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-1-methylquinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 219.10077 Da
Monoisotopic Mass: 1.0
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]+	220.10805	144.9
[M+Na]+	242.08999	156.4
[M-H]-	218.09349	149.3
[M+NH4]+	237.13459	162.9
[M+K]+	258.06393	154.0
[M+H-H2O]+	202.09803	137.1
[M+HCOO]-	264.09897	168.3
[M+CH3COO]-	278.11462	195.8
[M+Na-2H]-	240.07544	152.2
[M]+	219.10022	148.9
[M]-	219.10132	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe