CID 63438

1-allylquinazolin-4(1h)-one

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

C=CCN1C=NC(=O)C2=CC=CC=C21

InChI

InChI=1S/C11H10N2O/c1-2-7-13-8-12-11(14)9-5-3-4-6-10(9)13/h2-6,8H,1,7H2

InChIKey

HJAGMWZVOZVIBM-UHFFFAOYSA-N

Compound name

1-prop-2-enylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.07932 Da
Monoisotopic Mass: 1.5
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]+	187.08660	138.6
[M+Na]+	209.06854	154.1
[M+NH4]+	204.11314	147.1
[M+K]+	225.04248	146.1
[M-H]-	185.07204	140.5
[M+Na-2H]-	207.05399	146.4
[M]+	186.07877	141.4
[M]-	186.07987	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe