CID 64056

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

Structural Information

Molecular Formula
C15H12N2O
SMILES
CC1=CC=CC=C1N2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C15H12N2O/c1-11-6-2-5-9-14(11)17-10-16-13-8-4-3-7-12(13)15(17)18/h2-10H,1H3
InChIKey
CBFJSWUGLMNPKR-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

236.09496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.102236 152.1
[M+Na]+ 259.084178 162.8
[M-H]- 235.087684 157.6
[M+NH4]+ 254.128783 168.3
[M+K]+ 275.058118 157.3
[M+H-H2O]+ 219.092220 142.9
[M+HCOO]- 281.093161 173.5
[M+CH3COO]- 295.108811 165.0
[M+Na-2H]- 257.069626 160.6
[M]+ 236.09441142 153.0
[M]- 236.09550858 153.0
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

patents stripe