CID 137321847

79581-52-5

Structural Information

Molecular Formula
C10H13N5O5
SMILES
C1[C@@H]([C@H](OC1N2C(N=C3C2=NC(=N)NC3=O)O)CO)O
InChI
InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,10,16-17,19H,1-2H2,(H2,11,14,18)/t3-,4+,5?,10?/m0/s1
InChIKey
CSFDEODRLMJPFZ-RBAIJXOFSA-N
Compound name
8-hydroxy-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-8H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.09167 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09895 163.6
[M+Na]+ 306.08089 171.6
[M-H]- 282.08439 162.6
[M+NH4]+ 301.12549 174.4
[M+K]+ 322.05483 168.0
[M+H-H2O]+ 266.08893 156.5
[M+HCOO]- 328.08987 174.8
[M+CH3COO]- 342.10552 193.9
[M+Na-2H]- 304.06634 162.5
[M]+ 283.09112 159.1
[M]- 283.09222 159.1
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.