CID 63438

28899-21-0

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.086596 137.6
[M+Na]+ 209.068538 148.2
[M-H]- 185.072044 139.9
[M+NH4]+ 204.113143 156.1
[M+K]+ 225.042478 143.9
[M+H-H2O]+ 169.076580 130.1
[M+HCOO]- 231.077521 159.4
[M+CH3COO]- 245.093171 182.8
[M+Na-2H]- 207.053986 146.7
[M]+ 186.07877142 138.9
[M]- 186.07986858 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