CID 6476823

Chembl301576

Structural Information

Molecular Formula
C13H13N5O4
SMILES
COC\1=C(C(=O)O/C1=C\CN2C=NC3=C(N=CN=C32)N)OC
InChI
InChI=1S/C13H13N5O4/c1-20-9-7(22-13(19)10(9)21-2)3-4-18-6-17-8-11(14)15-5-16-12(8)18/h3,5-6H,4H2,1-2H3,(H2,14,15,16)/b7-3-
InChIKey
ANFMZVNWHAVWQN-CLTKARDFSA-N
Compound name
(5Z)-5-[2-(6-aminopurin-9-yl)ethylidene]-3,4-dimethoxyfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

303.09674 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10402 166.9
[M+Na]+ 326.08596 178.8
[M-H]- 302.08946 171.5
[M+NH4]+ 321.13056 179.8
[M+K]+ 342.05990 176.0
[M+H-H2O]+ 286.09400 158.2
[M+HCOO]- 348.09494 188.2
[M+CH3COO]- 362.11059 204.6
[M+Na-2H]- 324.07141 169.2
[M]+ 303.09619 173.1
[M]- 303.09729 173.1
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.