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]+ 251.11789 156.8
[M+Na]+ 273.09983 167.0
[M-H]- 249.10333 162.1
[M+NH4]+ 268.14443 172.3
[M+K]+ 289.07377 161.2
[M+H-H2O]+ 233.10787 147.3
[M+HCOO]- 295.10881 177.8
[M+CH3COO]- 309.12446 169.2
[M+Na-2H]- 271.08528 164.7
[M]+ 250.11006 158.0
[M]- 250.11116 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.