CID 63135

4(3h)-quinazolinone, 2-methyl-3-(m-tolyl)-

Structural Information

Molecular Formula
C16H14N2O
SMILES
CC1=CC(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C16H14N2O/c1-11-6-5-7-13(10-11)18-12(2)17-15-9-4-3-8-14(15)16(18)19/h3-10H,1-2H3
InChIKey
ACZZXQREKJMALJ-UHFFFAOYSA-N
Compound name
2-methyl-3-(3-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

250.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 156.7
[M+Na]+ 273.09983 174.9
[M+NH4]+ 268.14443 165.8
[M+K]+ 289.07377 165.7
[M-H]- 249.10333 161.8
[M+Na-2H]- 271.08528 167.0
[M]+ 250.11006 161.0
[M]- 250.11116 161.0
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

patents stripe