CID 479330

Indolo[2,1-b]pteridine-6,12-dione

Structural Information

Molecular Formula
C13H6N4O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=NC4=NC=CN=C4C(=O)N23
InChI
InChI=1S/C13H6N4O2/c18-10-7-3-1-2-4-8(7)17-12(10)16-11-9(13(17)19)14-5-6-15-11/h1-6H
InChIKey
KWZXKPFBHSSXLT-UHFFFAOYSA-N
Compound name
indolo[2,1-b]pteridine-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

250.04907 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05635 154.0
[M+Na]+ 273.03829 167.7
[M-H]- 249.04179 156.4
[M+NH4]+ 268.08289 170.8
[M+K]+ 289.01223 161.7
[M+H-H2O]+ 233.04633 144.7
[M+HCOO]- 295.04727 172.5
[M+CH3COO]- 309.06292 166.7
[M+Na-2H]- 271.02374 162.8
[M]+ 250.04852 157.3
[M]- 250.04962 157.3
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

patents stripe