CID 86356

Fenazaquin

Structural Information

Molecular Formula
C20H22N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32
InChI
InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3
InChIKey
DMYHGDXADUDKCQ-UHFFFAOYSA-N
Compound name
4-[2-(4-tert-butylphenyl)ethoxy]quinazoline
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

40
References

28126
Patents

306.17322 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 177.2
[M+Na]+ 329.16244 184.8
[M-H]- 305.16594 181.6
[M+NH4]+ 324.20704 190.3
[M+K]+ 345.13638 179.2
[M+H-H2O]+ 289.17048 167.2
[M+HCOO]- 351.17142 195.0
[M+CH3COO]- 365.18707 207.0
[M+Na-2H]- 327.14789 184.3
[M]+ 306.17267 179.4
[M]- 306.17377 179.4
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.