CID 446857

7-alpha-d-ribofuranosyl-purine-5'-phosphate

Structural Information

Molecular Formula
C10H13N4O7P
SMILES
C1=C2C(=NC=N1)N=CN2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI
InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-9-5(14)1-11-3-12-9/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10+/m1/s1
InChIKey
NICKPTPNIMHUHB-DQUBFYRCSA-N
Compound name
[(2R,3S,4R,5S)-3,4-dihydroxy-5-purin-7-yloxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0522 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.059476 169.0
[M+Na]+ 355.041418 176.6
[M-H]- 331.044924 167.4
[M+NH4]+ 350.086023 178.0
[M+K]+ 371.015358 176.0
[M+H-H2O]+ 315.049460 159.6
[M+HCOO]- 377.050401 186.6
[M+CH3COO]- 391.066051 197.3
[M+Na-2H]- 353.026866 169.5
[M]+ 332.05165142 171.3
[M]- 332.05274858 171.3
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.