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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15541 174.5
[M+Na]+ 333.13735 182.7
[M-H]- 309.14085 177.8
[M+NH4]+ 328.18195 187.4
[M+K]+ 349.11129 176.9
[M+H-H2O]+ 293.14539 163.4
[M+HCOO]- 355.14633 192.2
[M+CH3COO]- 369.16198 184.7
[M+Na-2H]- 331.12280 179.0
[M]+ 310.14758 175.7
[M]- 310.14868 175.7
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