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

0
Patents

186.07932 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 137.6
[M+Na]+ 209.06854 148.2
[M-H]- 185.07204 139.9
[M+NH4]+ 204.11314 156.1
[M+K]+ 225.04248 143.9
[M+H-H2O]+ 169.07658 130.1
[M+HCOO]- 231.07752 159.4
[M+CH3COO]- 245.09317 182.8
[M+Na-2H]- 207.05399 146.7
[M]+ 186.07877 138.9
[M]- 186.07987 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe