CID 64026

27945-43-3

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CC1=CC(=CC(=C1O)C)N2C(=NC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C17H16N2O2/c1-10-8-13(9-11(2)16(10)20)19-12(3)18-15-7-5-4-6-14(15)17(19)21/h4-9,20H,1-3H3
InChIKey
JENZANUHKHDPCZ-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-3,5-dimethylphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1212 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 165.7
[M+Na]+ 303.110418 177.6
[M-H]- 279.113924 170.7
[M+NH4]+ 298.155023 180.2
[M+K]+ 319.084358 171.7
[M+H-H2O]+ 263.118460 156.9
[M+HCOO]- 325.119401 185.0
[M+CH3COO]- 339.135051 177.9
[M+Na-2H]- 301.095866 170.4
[M]+ 280.12065142 168.2
[M]- 280.12174858 168.2
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

No patent data available for this compound.