CID 854618

3-[2-(4-methylphenyl)-2-oxoethyl]-4(3h)-quinazolinone

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CC1=CC=C(C=C1)C(=O)CN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14N2O2/c1-12-6-8-13(9-7-12)16(20)10-19-11-18-15-5-3-2-4-14(15)17(19)21/h2-9,11H,10H2,1H3
InChIKey
VCXMXVLQBSXFGE-UHFFFAOYSA-N
Compound name
3-[2-(4-methylphenyl)-2-oxoethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

278.10553 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.112806 163.3
[M+Na]+ 301.094748 172.9
[M-H]- 277.098254 168.6
[M+NH4]+ 296.139353 177.4
[M+K]+ 317.068688 167.5
[M+H-H2O]+ 261.102790 153.7
[M+HCOO]- 323.103731 183.4
[M+CH3COO]- 337.119381 175.1
[M+Na-2H]- 299.080196 169.6
[M]+ 278.10498142 165.0
[M]- 278.10607858 165.0
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.