CID 3058903

Brn 5048075

Structural Information

Molecular Formula

C₁₀H₁₀ClN₃O₂

SMILES

CN(C)N1C(=O)C2=C(C=C(C=C2)Cl)NC1=O

InChI

InChI=1S/C10H10ClN3O2/c1-13(2)14-9(15)7-4-3-6(11)5-8(7)12-10(14)16/h3-5H,1-2H3,(H,12,16)

InChIKey

MEVGKQYFICKFKY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 239.04616 Da
Monoisotopic Mass: 1.5
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]+	240.053436	146.7
[M+Na]+	262.035378	158.8
[M-H]-	238.038884	149.6
[M+NH4]+	257.079983	164.0
[M+K]+	278.009318	154.2
[M+H-H2O]+	222.043420	140.0
[M+HCOO]-	284.044361	164.3
[M+CH3COO]-	298.060011	194.0
[M+Na-2H]-	260.020826	153.5
[M]+	239.04561142	150.5
[M]-	239.04670858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe