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]+ 265.133526 161.6
[M+Na]+ 287.115468 173.3
[M-H]- 263.118974 167.6
[M+NH4]+ 282.160073 177.3
[M+K]+ 303.089408 167.4
[M+H-H2O]+ 247.123510 152.4
[M+HCOO]- 309.124451 182.3
[M+CH3COO]- 323.140101 174.3
[M+Na-2H]- 285.100916 167.5
[M]+ 264.12570142 164.1
[M]- 264.12679858 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.