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
4
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 178.8
[M+Na]+ 343.14169 186.2
[M-H]- 319.14519 183.4
[M+NH4]+ 338.18629 191.0
[M+K]+ 359.11563 181.3
[M+H-H2O]+ 303.14973 168.9
[M+HCOO]- 365.15067 196.0
[M+CH3COO]- 379.16632 209.1
[M+Na-2H]- 341.12714 184.9
[M]+ 320.15192 181.1
[M]- 320.15302 181.1
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.