CID 135435190

Chembl180443

Structural Information

Molecular Formula
C16H10N6O
SMILES
C1=CC=NC(=C1)C2=NC3=C(N=CNC3=O)N=C2C4=CC=CC=N4
InChI
InChI=1S/C16H10N6O/c23-16-14-15(19-9-20-16)22-13(11-6-2-4-8-18-11)12(21-14)10-5-1-3-7-17-10/h1-9H,(H,19,20,22,23)
InChIKey
YGQMARMGDPAJIF-UHFFFAOYSA-N
Compound name
6,7-dipyridin-2-yl-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.0916 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09888 173.7
[M+Na]+ 325.08082 184.6
[M-H]- 301.08432 175.4
[M+NH4]+ 320.12542 179.8
[M+K]+ 341.05476 175.3
[M+H-H2O]+ 285.08886 160.6
[M+HCOO]- 347.08980 188.3
[M+CH3COO]- 361.10545 182.5
[M+Na-2H]- 323.06627 183.3
[M]+ 302.09105 172.0
[M]- 302.09215 172.0
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.