CID 64086

28513-42-0

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CCCC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C(=C3)C)O)C
InChI
InChI=1S/C19H20N2O2/c1-4-7-17-20-16-9-6-5-8-15(16)19(23)21(17)14-10-12(2)18(22)13(3)11-14/h5-6,8-11,22H,4,7H2,1-3H3
InChIKey
YXIWNSLZQISSPB-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-3,5-dimethylphenyl)-2-propylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 174.9
[M+Na]+ 331.14169 185.9
[M-H]- 307.14519 179.5
[M+NH4]+ 326.18629 188.2
[M+K]+ 347.11563 179.5
[M+H-H2O]+ 291.14973 165.6
[M+HCOO]- 353.15067 193.5
[M+CH3COO]- 367.16632 208.1
[M+Na-2H]- 329.12714 178.5
[M]+ 308.15192 178.0
[M]- 308.15302 178.0
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

No patent data available for this compound.