CID 63824

69557-32-0

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₃

SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3CCC(=O)NC3=O

InChI

InChI=1S/C14H13N3O3/c1-8-15-10-5-3-2-4-9(10)14(20)17(8)11-6-7-12(18)16-13(11)19/h2-5,11H,6-7H2,1H3,(H,16,18,19)

InChIKey

RKAGXGJVJCKBPG-UHFFFAOYSA-N

Compound name

3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 164
Patents: 271.0957 Da
Monoisotopic Mass: 0.3
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]+	272.102976	162.0
[M+Na]+	294.084918	171.7
[M-H]-	270.088424	164.5
[M+NH4]+	289.129523	174.6
[M+K]+	310.058858	166.0
[M+H-H2O]+	254.092960	152.5
[M+HCOO]-	316.093901	177.2
[M+CH3COO]-	330.109551	172.6
[M+Na-2H]-	292.070366	166.0
[M]+	271.09515142	159.3
[M]-	271.09624858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe