CID 63118

1915-79-3

Structural Information

Molecular Formula
C17H16N2O
SMILES
CC1=C(C(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C)C
InChI
InChI=1S/C17H16N2O/c1-11-7-6-10-16(12(11)2)19-13(3)18-15-9-5-4-8-14(15)17(19)20/h4-10H,1-3H3
InChIKey
JIKUUQKCXVSNPX-UHFFFAOYSA-N
Compound name
3-(2,3-dimethylphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

264.12625 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 161.6
[M+Na]+ 287.11547 173.3
[M-H]- 263.11897 167.6
[M+NH4]+ 282.16007 177.3
[M+K]+ 303.08941 167.4
[M+H-H2O]+ 247.12351 152.4
[M+HCOO]- 309.12445 182.3
[M+CH3COO]- 323.14010 174.3
[M+Na-2H]- 285.10092 167.5
[M]+ 264.12570 164.1
[M]- 264.12680 164.1
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.