CID 63757

27945-45-5

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C(=C3)C)O)C
InChI
InChI=1S/C18H18N2O2/c1-4-16-19-15-8-6-5-7-14(15)18(22)20(16)13-9-11(2)17(21)12(3)10-13/h5-10,21H,4H2,1-3H3
InChIKey
OLHQWYZJCYGQDW-UHFFFAOYSA-N
Compound name
2-ethyl-3-(4-hydroxy-3,5-dimethylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 170.3
[M+Na]+ 317.12606 181.8
[M-H]- 293.12956 175.1
[M+NH4]+ 312.17066 184.2
[M+K]+ 333.10000 175.6
[M+H-H2O]+ 277.13410 161.2
[M+HCOO]- 339.13504 189.3
[M+CH3COO]- 353.15069 182.0
[M+Na-2H]- 315.11151 174.4
[M]+ 294.13629 173.1
[M]- 294.13739 173.1
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.