CID 64023

4(3h)-quinazolinone, 3-(o-ethylphenyl)-

Structural Information

Molecular Formula
C16H14N2O
SMILES
CCC1=CC=CC=C1N2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H14N2O/c1-2-12-7-3-6-10-15(12)18-11-17-14-9-5-4-8-13(14)16(18)19/h3-11H,2H2,1H3
InChIKey
YGQUVKGMKDXHQA-UHFFFAOYSA-N
Compound name
3-(2-ethylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11061 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 156.8
[M+Na]+ 273.099828 167.0
[M-H]- 249.103334 162.1
[M+NH4]+ 268.144433 172.3
[M+K]+ 289.073768 161.2
[M+H-H2O]+ 233.107870 147.3
[M+HCOO]- 295.108811 177.8
[M+CH3COO]- 309.124461 169.2
[M+Na-2H]- 271.085276 164.7
[M]+ 250.11006142 158.0
[M]- 250.11115858 158.0
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

No patent data available for this compound.