CID 19918

Quazodine

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CCC1=NC=NC2=CC(=C(C=C21)OC)OC

InChI

InChI=1S/C12H14N2O2/c1-4-9-8-5-11(15-2)12(16-3)6-10(8)14-7-13-9/h5-7H,4H2,1-3H3

InChIKey

STAYVYIMUXVGBN-UHFFFAOYSA-N

Compound name

4-ethyl-6,7-dimethoxyquinazoline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 303
Patents: 218.10553 Da
Monoisotopic Mass: 2.3
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]+	219.112806	147.8
[M+Na]+	241.094748	158.1
[M-H]-	217.098254	150.1
[M+NH4]+	236.139353	165.3
[M+K]+	257.068688	155.3
[M+H-H2O]+	201.102790	139.9
[M+HCOO]-	263.103731	169.0
[M+CH3COO]-	277.119381	190.6
[M+Na-2H]-	239.080196	155.5
[M]+	218.10498142	152.5
[M]-	218.10607858	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe