CID 444894

2',5'-dideoxy-adenosine 3'-monophosphate

Structural Information

Molecular Formula
C10H14N5O5P
SMILES
C[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)OP(=O)(O)O
InChI
InChI=1S/C10H14N5O5P/c1-5-6(20-21(16,17)18)2-7(19-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1
InChIKey
NFGZMOICZSFFLB-DSYKOEDSSA-N
Compound name
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

315.07324 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08052 167.6
[M+Na]+ 338.06246 175.8
[M-H]- 314.06596 168.1
[M+NH4]+ 333.10706 178.3
[M+K]+ 354.03640 174.9
[M+H-H2O]+ 298.07050 157.5
[M+HCOO]- 360.07144 188.3
[M+CH3COO]- 374.08709 201.6
[M+Na-2H]- 336.04791 168.0
[M]+ 315.07269 169.1
[M]- 315.07379 169.1
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.