CID 5271250

104532-13-0

Structural Information

Molecular Formula
C11H14N5O8P
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(C(=O)O)O)O)O)N
InChI
InChI=1S/C11H14N5O8P/c12-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(24-10)1-23-25(21,22)11(19)20/h2-4,6-7,10,17-18H,1H2,(H,19,20)(H,21,22)(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
InChIKey
FDXVFANZEFUTLY-KQYNXXCUSA-N
Compound name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.058 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.06528 177.3
[M+Na]+ 398.04722 183.6
[M-H]- 374.05072 175.7
[M+NH4]+ 393.09182 183.9
[M+K]+ 414.02116 183.7
[M+H-H2O]+ 358.05526 167.9
[M+HCOO]- 420.05620 194.2
[M+CH3COO]- 434.07185 209.6
[M+Na-2H]- 396.03267 176.3
[M]+ 375.05745 178.8
[M]- 375.05855 178.8
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.