CID 63523

Brn 0832166

Structural Information

Molecular Formula
C16H14FN3O2
SMILES
CC1=C(C=CC(=C1)O)N2C(=NC3=C(C2=O)C=C(C=C3)N)CF
InChI
InChI=1S/C16H14FN3O2/c1-9-6-11(21)3-5-14(9)20-15(8-17)19-13-4-2-10(18)7-12(13)16(20)22/h2-7,21H,8,18H2,1H3
InChIKey
XLAJDQIJKIZHDA-UHFFFAOYSA-N
Compound name
6-amino-2-(fluoromethyl)-3-(4-hydroxy-2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.107 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11428 169.0
[M+Na]+ 322.09622 184.1
[M+NH4]+ 317.14082 175.5
[M+K]+ 338.07016 176.9
[M-H]- 298.09972 171.6
[M+Na-2H]- 320.08167 175.8
[M]+ 299.10645 171.8
[M]- 299.10755 171.8
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.