CID 478672

8-fluoroindolo[2,1-b]pteridine-6,12-dione

Structural Information

Molecular Formula
C13H5FN4O2
SMILES
C1=CC2=C(C=C1F)C(=O)C3=NC4=NC=CN=C4C(=O)N23
InChI
InChI=1S/C13H5FN4O2/c14-6-1-2-8-7(5-6)10(19)12-17-11-9(13(20)18(8)12)15-3-4-16-11/h1-5H
InChIKey
IHEWEQYQCUORNF-UHFFFAOYSA-N
Compound name
8-fluoroindolo[2,1-b]pteridine-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.03964 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04692 157.8
[M+Na]+ 291.02886 172.4
[M-H]- 267.03236 159.1
[M+NH4]+ 286.07346 174.0
[M+K]+ 307.00280 165.8
[M+H-H2O]+ 251.03690 147.7
[M+HCOO]- 313.03784 175.2
[M+CH3COO]- 327.05349 170.1
[M+Na-2H]- 289.01431 165.2
[M]+ 268.03909 160.5
[M]- 268.04019 160.5
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

patents stripe