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]+ 321.159746 178.8
[M+Na]+ 343.141688 186.2
[M-H]- 319.145194 183.4
[M+NH4]+ 338.186293 191.0
[M+K]+ 359.115628 181.3
[M+H-H2O]+ 303.149730 168.9
[M+HCOO]- 365.150671 196.0
[M+CH3COO]- 379.166321 209.1
[M+Na-2H]- 341.127136 184.9
[M]+ 320.15192142 181.1
[M]- 320.15301858 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.