CID 446858

7-alpha-d-ribofuranosyl-2-aminopurine-5'-phosphate

Structural Information

Molecular Formula
C10H14N5O7P
SMILES
C1=C2C(=NC(=N1)N)N=CN2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI
InChI=1S/C10H14N5O7P/c11-10-12-1-4-8(14-10)13-3-15(4)9-7(17)6(16)5(22-9)2-21-23(18,19)20/h1,3,5-7,9,16-17H,2H2,(H2,11,12,14)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1
InChIKey
UDRQVOJQMHZSIM-PULFBKJNSA-N
Compound name
[(2R,3S,4R,5S)-5-(2-aminopurin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.06308 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.07036 172.7
[M+Na]+ 370.05230 180.0
[M-H]- 346.05580 171.0
[M+NH4]+ 365.09690 180.7
[M+K]+ 386.02624 179.3
[M+H-H2O]+ 330.06034 163.2
[M+HCOO]- 392.06128 190.6
[M+CH3COO]- 406.07693 203.9
[M+Na-2H]- 368.03775 172.5
[M]+ 347.06253 173.7
[M]- 347.06363 173.7
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.