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]+ 281.12848 165.7
[M+Na]+ 303.11042 177.6
[M-H]- 279.11392 170.7
[M+NH4]+ 298.15502 180.2
[M+K]+ 319.08436 171.7
[M+H-H2O]+ 263.11846 156.9
[M+HCOO]- 325.11940 185.0
[M+CH3COO]- 339.13505 177.9
[M+Na-2H]- 301.09587 170.4
[M]+ 280.12065 168.2
[M]- 280.12175 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.