CID 137185893

8og

Structural Information

Molecular Formula
C10H14N5O8P
SMILES
C1[C@@H](C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O
InChI
InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4?,5?/m0/s1
InChIKey
AQIVLFLYHYFRKU-KLFYCJEISA-N
Compound name
[(3S)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

116
Patents

363.058 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.06528 175.5
[M+Na]+ 386.04722 181.3
[M+NH4]+ 381.09182 175.3
[M+K]+ 402.02116 187.8
[M-H]- 362.05072 171.5
[M+Na-2H]- 384.03267 172.8
[M]+ 363.05745 174.1
[M]- 363.05855 174.1
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.