CID 164168

124428-93-9

Structural Information

Molecular Formula
C18H17FN2O2
SMILES
CCOC1=CC=C(C=C1)CCOC2=NC=NC3=C2C=CC=C3F
InChI
InChI=1S/C18H17FN2O2/c1-2-22-14-8-6-13(7-9-14)10-11-23-18-15-4-3-5-16(19)17(15)20-12-21-18/h3-9,12H,2,10-11H2,1H3
InChIKey
ZNWRKQMEYFLOSD-UHFFFAOYSA-N
Compound name
4-[2-(4-ethoxyphenyl)ethoxy]-8-fluoroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

312.1274 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13468 173.1
[M+Na]+ 335.11662 181.9
[M-H]- 311.12012 176.5
[M+NH4]+ 330.16122 185.9
[M+K]+ 351.09056 176.5
[M+H-H2O]+ 295.12466 161.8
[M+HCOO]- 357.12560 192.3
[M+CH3COO]- 371.14125 183.7
[M+Na-2H]- 333.10207 179.2
[M]+ 312.12685 176.0
[M]- 312.12795 176.0
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