CID 135547026

2-amino-6,7-dimethoxy-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₃

SMILES

COC1=C(C=C2C(=C1)C(=O)NC(=N2)N)OC

InChI

InChI=1S/C10H11N3O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(11)13-9(5)14/h3-4H,1-2H3,(H3,11,12,13,14)

InChIKey

OEASVAKVZYHCQH-UHFFFAOYSA-N

Compound name

2-amino-6,7-dimethoxy-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 221.08005 Da
Monoisotopic Mass: 0.1
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]+	222.087326	146.0
[M+Na]+	244.069268	156.9
[M-H]-	220.072774	147.2
[M+NH4]+	239.113873	162.2
[M+K]+	260.043208	153.4
[M+H-H2O]+	204.077310	138.6
[M+HCOO]-	266.078251	167.1
[M+CH3COO]-	280.093901	189.3
[M+Na-2H]-	242.054716	153.0
[M]+	221.07950142	147.7
[M]-	221.08059858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe