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

38
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

literature stripe

Patent stripe

patents stripe