CID 45691520

Fenazaquin metabolite nn1

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)COC2=NC=NC3=CC=CC=C32
InChI
InChI=1S/C20H20N2O2/c1-20(2,3)15-10-8-14(9-11-15)18(23)12-24-19-16-6-4-5-7-17(16)21-13-22-19/h4-11,13H,12H2,1-3H3
InChIKey
GWCXQZAPQSJJSZ-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

320.15247 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 177.2
[M+Na]+ 343.14169 192.6
[M+NH4]+ 338.18629 184.7
[M+K]+ 359.11563 184.8
[M-H]- 319.14519 180.7
[M+Na-2H]- 341.12714 186.1
[M]+ 320.15192 180.6
[M]- 320.15302 180.6
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.