CID 63779

Brn 0817818

Structural Information

Molecular Formula
C17H15FN2O2
SMILES
CCOC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)F)C
InChI
InChI=1S/C17H15FN2O2/c1-3-22-14-7-5-13(6-8-14)20-11(2)19-16-9-4-12(18)10-15(16)17(20)21/h4-10H,3H2,1-2H3
InChIKey
GBVRNPXHGZTMKY-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-6-fluoro-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.11176 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11904 168.5
[M+Na]+ 321.10098 179.9
[M-H]- 297.10448 172.9
[M+NH4]+ 316.14558 182.5
[M+K]+ 337.07492 174.2
[M+H-H2O]+ 281.10902 157.9
[M+HCOO]- 343.10996 188.2
[M+CH3COO]- 357.12561 180.3
[M+Na-2H]- 319.08643 173.6
[M]+ 298.11121 171.2
[M]- 298.11231 171.2
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.