CID 68706015

1410782-55-6

Structural Information

Molecular Formula

C₉H₁₁N₃O

SMILES

CN1CC2=C(C=CC(=C2)N)NC1=O

InChI

InChI=1S/C9H11N3O/c1-12-5-6-4-7(10)2-3-8(6)11-9(12)13/h2-4H,5,10H2,1H3,(H,11,13)

InChIKey

XNVUYRIVTQPUMZ-UHFFFAOYSA-N

Compound name

6-amino-3-methyl-1,4-dihydroquinazolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 177.09021 Da
Monoisotopic Mass: 0.0
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]+	178.09749	137.9
[M+Na]+	200.07943	146.7
[M-H]-	176.08293	138.2
[M+NH4]+	195.12403	155.7
[M+K]+	216.05337	142.6
[M+H-H2O]+	160.08747	131.0
[M+HCOO]-	222.08841	156.2
[M+CH3COO]-	236.10406	181.2
[M+Na-2H]-	198.06488	144.1
[M]+	177.08966	133.2
[M]-	177.09076	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe