CID 135421250

Chembl182020

Structural Information

Molecular Formula
C18H10F2N4O
SMILES
C1=CC(=CC=C1C2=NC3=C(N=CNC3=O)N=C2C4=CC=C(C=C4)F)F
InChI
InChI=1S/C18H10F2N4O/c19-12-5-1-10(2-6-12)14-15(11-3-7-13(20)8-4-11)24-17-16(23-14)18(25)22-9-21-17/h1-9H,(H,21,22,24,25)
InChIKey
ANUYUHYVAXDKID-UHFFFAOYSA-N
Compound name
6,7-bis(4-fluorophenyl)-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.08228 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08956 180.0
[M+Na]+ 359.07150 192.0
[M-H]- 335.07500 182.2
[M+NH4]+ 354.11610 188.1
[M+K]+ 375.04544 182.2
[M+H-H2O]+ 319.07954 166.1
[M+HCOO]- 381.08048 194.7
[M+CH3COO]- 395.09613 189.1
[M+Na-2H]- 357.05695 185.7
[M]+ 336.08173 177.1
[M]- 336.08283 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.