CID 164165

124428-20-2

Structural Information

Molecular Formula
C20H21FN2O
SMILES
CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=C2C=CC=C3F
InChI
InChI=1S/C20H21FN2O/c1-20(2,3)15-9-7-14(8-10-15)11-12-24-19-16-5-4-6-17(21)18(16)22-13-23-19/h4-10,13H,11-12H2,1-3H3
InChIKey
JFWPQDPDCSOONS-UHFFFAOYSA-N
Compound name
4-[2-(4-tert-butylphenyl)ethoxy]-8-fluoroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

324.1638 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17108 180.8
[M+Na]+ 347.15302 189.4
[M-H]- 323.15652 184.2
[M+NH4]+ 342.19762 193.4
[M+K]+ 363.12696 183.4
[M+H-H2O]+ 307.16106 169.9
[M+HCOO]- 369.16200 197.5
[M+CH3COO]- 383.17765 210.8
[M+Na-2H]- 345.13847 186.5
[M]+ 324.16325 182.3
[M]- 324.16435 182.3
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

patents stripe