CID 456254

2,4-diamino-6-(2-furyl)pteridine

Structural Information

Molecular Formula
C10H8N6O
SMILES
C1=COC(=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N
InChI
InChI=1S/C10H8N6O/c11-8-7-9(16-10(12)15-8)13-4-5(14-7)6-2-1-3-17-6/h1-4H,(H4,11,12,13,15,16)
InChIKey
DXYPKMSPMZPOJS-UHFFFAOYSA-N
Compound name
6-(furan-2-yl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.07596 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08324 148.0
[M+Na]+ 251.06518 160.1
[M-H]- 227.06868 151.9
[M+NH4]+ 246.10978 161.4
[M+K]+ 267.03912 155.9
[M+H-H2O]+ 211.07322 138.5
[M+HCOO]- 273.07416 170.5
[M+CH3COO]- 287.08981 160.8
[M+Na-2H]- 249.05063 156.8
[M]+ 228.07541 148.8
[M]- 228.07651 148.8
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

No patent data available for this compound.