CID 363658

Nsc628724

Structural Information

Molecular Formula
C13H19N5O7
SMILES
CN1C(=O)C2=C(N=C1OC)N(C(=N2)N)C3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C13H19N5O7/c1-17-10(23)5-9(16-13(17)24-2)18(12(14)15-5)11-8(22)7(21)6(20)4(3-19)25-11/h4,6-8,11,19-22H,3H2,1-2H3,(H2,14,15)
InChIKey
MGYXHYCKLVSISM-UHFFFAOYSA-N
Compound name
8-amino-2-methoxy-1-methyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.12845 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13573 183.9
[M+Na]+ 380.11767 194.3
[M-H]- 356.12117 183.7
[M+NH4]+ 375.16227 190.5
[M+K]+ 396.09161 191.3
[M+H-H2O]+ 340.12571 175.8
[M+HCOO]- 402.12665 195.3
[M+CH3COO]- 416.14230 211.9
[M+Na-2H]- 378.10312 182.8
[M]+ 357.12790 186.1
[M]- 357.12900 186.1
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.