CID 209367

19801-37-7

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

C1CNC2=NC3=CC=CC=C3C(=O)N2C1

InChI

InChI=1S/C11H11N3O/c15-10-8-4-1-2-5-9(8)13-11-12-6-3-7-14(10)11/h1-2,4-5H,3,6-7H2,(H,12,13)

InChIKey

YBDKSPSOTVXJEP-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 4
Patents: 201.09021 Da
Monoisotopic Mass: 0.8
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]+	202.09749	142.6
[M+Na]+	224.07943	151.6
[M-H]-	200.08293	142.3
[M+NH4]+	219.12403	158.9
[M+K]+	240.05337	146.3
[M+H-H2O]+	184.08747	133.9
[M+HCOO]-	246.08841	158.0
[M+CH3COO]-	260.10406	153.9
[M+Na-2H]-	222.06488	152.0
[M]+	201.08966	138.9
[M]-	201.09076	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe