CID 482730

9h-purine, 6-(2-furanyl)-9-(2-propenyl)-

Structural Information

Molecular Formula
C12H10N4O
SMILES
C=CCN1C=NC2=C(N=CN=C21)C3=CC=CO3
InChI
InChI=1S/C12H10N4O/c1-2-5-16-8-15-11-10(9-4-3-6-17-9)13-7-14-12(11)16/h2-4,6-8H,1,5H2
InChIKey
HUNACELOTSWDKT-UHFFFAOYSA-N
Compound name
6-(furan-2-yl)-9-prop-2-enylpurine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

226.08546 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09274 147.9
[M+Na]+ 249.07468 159.9
[M-H]- 225.07818 152.0
[M+NH4]+ 244.11928 164.0
[M+K]+ 265.04862 156.4
[M+H-H2O]+ 209.08272 138.9
[M+HCOO]- 271.08366 169.8
[M+CH3COO]- 285.09931 161.3
[M+Na-2H]- 247.06013 153.7
[M]+ 226.08491 152.2
[M]- 226.08601 152.2
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.