CID 5240416

85516-81-0

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)N)C

InChI

InChI=1S/C10H11N3O/c1-6-3-4-9-8(5-6)10(14)13(11)7(2)12-9/h3-5H,11H2,1-2H3

InChIKey

VGBOBZPIBZPNPS-UHFFFAOYSA-N

Compound name

3-amino-2,6-dimethylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.09021 Da
Monoisotopic Mass: 0.5
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]+	190.097486	139.6
[M+Na]+	212.079428	151.4
[M-H]-	188.082934	142.3
[M+NH4]+	207.124033	158.1
[M+K]+	228.053368	147.5
[M+H-H2O]+	172.087470	132.5
[M+HCOO]-	234.088411	161.9
[M+CH3COO]-	248.104061	187.3
[M+Na-2H]-	210.064876	147.0
[M]+	189.08966142	140.4
[M]-	189.09075858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.