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

28322
Patents

306.17322 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.180496 177.2
[M+Na]+ 329.162438 184.8
[M-H]- 305.165944 181.6
[M+NH4]+ 324.207043 190.3
[M+K]+ 345.136378 179.2
[M+H-H2O]+ 289.170480 167.2
[M+HCOO]- 351.171421 195.0
[M+CH3COO]- 365.187071 207.0
[M+Na-2H]- 327.147886 184.3
[M]+ 306.17267142 179.4
[M]- 306.17376858 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

literature stripe

Patent stripe

patents stripe