CID 3071108

Brn 5105472

Structural Information

Molecular Formula

C₁₃H₁₄ClN₃O₃

SMILES

CN1C2=C(C=CC(=C2)Cl)C(=O)N(C1=O)N3CCOCC3

InChI

InChI=1S/C13H14ClN3O3/c1-15-11-8-9(14)2-3-10(11)12(18)17(13(15)19)16-4-6-20-7-5-16/h2-3,8H,4-7H2,1H3

InChIKey

WPPCJBGPPIBPQJ-UHFFFAOYSA-N

Compound name

7-chloro-1-methyl-3-morpholin-4-ylquinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.07236 Da
Monoisotopic Mass: 1.3
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]+	296.079636	164.9
[M+Na]+	318.061578	175.9
[M-H]-	294.065084	169.2
[M+NH4]+	313.106183	176.9
[M+K]+	334.035518	171.5
[M+H-H2O]+	278.069620	155.3
[M+HCOO]-	340.070561	176.0
[M+CH3COO]-	354.086211	176.0
[M+Na-2H]-	316.047026	169.6
[M]+	295.07181142	166.9
[M]-	295.07290858	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.