CID 3012046

2'-deoxy-adenosine-5'-rp-monomethylphosphonate

Structural Information

Molecular Formula
C11H16N5O5P
SMILES
CP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O
InChI
InChI=1S/C11H16N5O5P/c1-22(18,19)20-3-7-6(17)2-8(21-7)16-5-15-9-10(12)13-4-14-11(9)16/h4-8,17H,2-3H2,1H3,(H,18,19)(H2,12,13,14)/t6-,7+,8+/m0/s1
InChIKey
YNCYIAAXFUCITC-XLPZGREQSA-N
Compound name
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

329.0889 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09618 172.0
[M+Na]+ 352.07812 179.8
[M-H]- 328.08162 172.4
[M+NH4]+ 347.12272 182.2
[M+K]+ 368.05206 178.8
[M+H-H2O]+ 312.08616 161.8
[M+HCOO]- 374.08710 192.4
[M+CH3COO]- 388.10275 204.5
[M+Na-2H]- 350.06357 172.0
[M]+ 329.08835 173.9
[M]- 329.08945 173.9
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

patents stripe