CID 135483386

2-ethenyl-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C10H8N2O
SMILES
C=CC1=NC2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C10H8N2O/c1-2-9-11-8-6-4-3-5-7(8)10(13)12-9/h2-6H,1H2,(H,11,12,13)
InChIKey
VCHFWHQHIKFOIC-UHFFFAOYSA-N
Compound name
2-ethenyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

67
Patents

172.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 133.7
[M+Na]+ 195.05288 144.3
[M-H]- 171.05638 134.7
[M+NH4]+ 190.09748 152.1
[M+K]+ 211.02682 139.3
[M+H-H2O]+ 155.06092 126.8
[M+HCOO]- 217.06186 154.3
[M+CH3COO]- 231.07751 147.0
[M+Na-2H]- 193.03833 142.9
[M]+ 172.06311 132.8
[M]- 172.06421 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe