CID 135435191

6,7-di(2-furyl)pteridin-4-ol

Structural Information

Molecular Formula
C14H8N4O3
SMILES
C1=COC(=C1)C2=NC3=C(N=CNC3=O)N=C2C4=CC=CO4
InChI
InChI=1S/C14H8N4O3/c19-14-12-13(15-7-16-14)18-11(9-4-2-6-21-9)10(17-12)8-3-1-5-20-8/h1-7H,(H,15,16,18,19)
InChIKey
XBASKXDWDCWTRD-UHFFFAOYSA-N
Compound name
6,7-bis(furan-2-yl)-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.05963 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06691 157.8
[M+Na]+ 303.04885 170.5
[M-H]- 279.05235 165.3
[M+NH4]+ 298.09345 169.4
[M+K]+ 319.02279 167.1
[M+H-H2O]+ 263.05689 148.9
[M+HCOO]- 325.05783 178.2
[M+CH3COO]- 339.07348 170.8
[M+Na-2H]- 301.03430 163.7
[M]+ 280.05908 162.2
[M]- 280.06018 162.2
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.