CID 363235

Nsc627981

Structural Information

Molecular Formula
C17H10F2N4O2
SMILES
CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=C(C=C4)F)F
InChI
InChI=1S/C17H10F2N4O2/c1-22-16(24)14-15(21-17(22)25)23(9-6-7-10(18)11(19)8-9)13-5-3-2-4-12(13)20-14/h2-8H,1H3
InChIKey
VBFALOULUXMSCF-UHFFFAOYSA-N
Compound name
10-(3,4-difluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.07718 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08446 181.3
[M+Na]+ 363.06640 196.0
[M-H]- 339.06990 183.4
[M+NH4]+ 358.11100 191.7
[M+K]+ 379.04034 187.6
[M+H-H2O]+ 323.07444 168.0
[M+HCOO]- 385.07538 196.5
[M+CH3COO]- 399.09103 191.6
[M+Na-2H]- 361.05185 186.8
[M]+ 340.07663 182.6
[M]- 340.07773 182.6
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.