CID 3007418

4(3h)-quinazolinone, 3-(2-(4-chlorobenzoyl)-2-propenyl)-

Structural Information

Molecular Formula
C18H13ClN2O2
SMILES
C=C(CN1C=NC2=CC=CC=C2C1=O)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H13ClN2O2/c1-12(17(22)13-6-8-14(19)9-7-13)10-21-11-20-16-5-3-2-4-15(16)18(21)23/h2-9,11H,1,10H2
InChIKey
UXFNKWSPVJQBPA-UHFFFAOYSA-N
Compound name
3-[2-(4-chlorobenzoyl)prop-2-enyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.06656 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.07384 171.7
[M+Na]+ 347.05578 181.5
[M-H]- 323.05928 176.6
[M+NH4]+ 342.10038 184.6
[M+K]+ 363.02972 174.4
[M+H-H2O]+ 307.06382 162.5
[M+HCOO]- 369.06476 186.0
[M+CH3COO]- 383.08041 182.6
[M+Na-2H]- 345.04123 175.9
[M]+ 324.06601 174.7
[M]- 324.06711 174.7
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

No patent data available for this compound.