CID 135449336

50608-63-4

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

CC1=C2CN3CC(=O)NC3=NC2=CC=C1

InChI

InChI=1S/C11H11N3O/c1-7-3-2-4-9-8(7)5-14-6-10(15)13-11(14)12-9/h2-4H,5-6H2,1H3,(H,12,13,15)

InChIKey

QMIGUHOZYORBPK-UHFFFAOYSA-N

Compound name

6-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 41
Patents: 201.09021 Da
Monoisotopic Mass: 0.7
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]+	202.09749	144.2
[M+Na]+	224.07943	154.2
[M-H]-	200.08293	144.5
[M+NH4]+	219.12403	162.8
[M+K]+	240.05337	149.3
[M+H-H2O]+	184.08747	136.5
[M+HCOO]-	246.08841	160.6
[M+CH3COO]-	260.10406	156.2
[M+Na-2H]-	222.06488	149.9
[M]+	201.08966	141.9
[M]-	201.09076	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe