CID 3071106

Brn 5073092

Structural Information

Molecular Formula

C₁₄H₁₈ClN₃O₂

SMILES

CCN1C2=C(C=CC(=C2)Cl)C(=O)N(C1=O)N(CC)CC

InChI

InChI=1S/C14H18ClN3O2/c1-4-16(5-2)18-13(19)11-8-7-10(15)9-12(11)17(6-3)14(18)20/h7-9H,4-6H2,1-3H3

InChIKey

PSXZJTRBSNJARC-UHFFFAOYSA-N

Compound name

7-chloro-3-(diethylamino)-1-ethylquinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.10876 Da
Monoisotopic Mass: 2.8
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]+	296.116036	164.9
[M+Na]+	318.097978	176.6
[M-H]-	294.101484	168.8
[M+NH4]+	313.142583	180.9
[M+K]+	334.071918	171.9
[M+H-H2O]+	278.106020	157.3
[M+HCOO]-	340.106961	182.6
[M+CH3COO]-	354.122611	209.7
[M+Na-2H]-	316.083426	169.3
[M]+	295.10821142	172.3
[M]-	295.10930858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.