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: 5
Patents: 324.1638 Da
Monoisotopic Mass: 5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	325.171076	180.8
[M+Na]+	347.153018	189.4
[M-H]-	323.156524	184.2
[M+NH4]+	342.197623	193.4
[M+K]+	363.126958	183.4
[M+H-H2O]+	307.161060	169.9
[M+HCOO]-	369.162001	197.5
[M+CH3COO]-	383.177651	210.8
[M+Na-2H]-	345.138466	186.5
[M]+	324.16325142	182.3
[M]-	324.16434858	182.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe