CID 64090

Brn 0828155

Structural Information

Molecular Formula
C18H17FN2O2
SMILES
CCC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=C(C=C3)OCC
InChI
InChI=1S/C18H17FN2O2/c1-3-17-20-16-10-5-12(19)11-15(16)18(22)21(17)13-6-8-14(9-7-13)23-4-2/h5-11H,3-4H2,1-2H3
InChIKey
OXCYEFAVHJHYET-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-2-ethyl-6-fluoroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1274 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13468 173.1
[M+Na]+ 335.11662 184.1
[M-H]- 311.12012 177.4
[M+NH4]+ 330.16122 186.5
[M+K]+ 351.09056 178.2
[M+H-H2O]+ 295.12466 162.3
[M+HCOO]- 357.12560 192.5
[M+CH3COO]- 371.14125 208.8
[M+Na-2H]- 333.10207 177.7
[M]+ 312.12685 176.2
[M]- 312.12795 176.2
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

No patent data available for this compound.