CID 4319422

6,7-dimethoxy-4-methylquinazoline

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CC1=NC=NC2=CC(=C(C=C12)OC)OC

InChI

InChI=1S/C11H12N2O2/c1-7-8-4-10(14-2)11(15-3)5-9(8)13-6-12-7/h4-6H,1-3H3

InChIKey

IVRQVBUDDJNGRF-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-4-methylquinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 204.08987 Da
Monoisotopic Mass: 1.9
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]+	205.09715	143.1
[M+Na]+	227.07909	153.8
[M-H]-	203.08259	145.6
[M+NH4]+	222.12369	161.2
[M+K]+	243.05303	151.4
[M+H-H2O]+	187.08713	135.4
[M+HCOO]-	249.08807	164.6
[M+CH3COO]-	263.10372	187.6
[M+Na-2H]-	225.06454	151.4
[M]+	204.08932	147.5
[M]-	204.09042	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe