CID 164156

124427-45-8

Structural Information

Molecular Formula

C₁₉H₁₉FN₂O

SMILES

CC(C)C1=CC=C(C=C1)CCOC2=NC=NC3=C2C=CC=C3F

InChI

InChI=1S/C19H19FN2O/c1-13(2)15-8-6-14(7-9-15)10-11-23-19-16-4-3-5-17(20)18(16)21-12-22-19/h3-9,12-13H,10-11H2,1-2H3

InChIKey

JDONVDDEUFPCQN-UHFFFAOYSA-N

Compound name

8-fluoro-4-[2-(4-propan-2-ylphenyl)ethoxy]quinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 310.14813 Da
Monoisotopic Mass: 5.3
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]+	311.155406	174.5
[M+Na]+	333.137348	182.7
[M-H]-	309.140854	177.8
[M+NH4]+	328.181953	187.4
[M+K]+	349.111288	176.9
[M+H-H2O]+	293.145390	163.4
[M+HCOO]-	355.146331	192.2
[M+CH3COO]-	369.161981	184.7
[M+Na-2H]-	331.122796	179.0
[M]+	310.14758142	175.7
[M]-	310.14867858	175.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe