CID 5276915

Pmta

Structural Information

Molecular Formula
C10H14N5O6P
SMILES
C1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OCP(=O)(O)O
InChI
InChI=1S/C10H14N5O6P/c11-8-6-9(13-2-12-8)15(3-14-6)10-7(16)5(1-20-10)21-4-22(17,18)19/h2-3,5,7,10,16H,1,4H2,(H2,11,12,13)(H2,17,18,19)/t5-,7+,10+/m0/s1
InChIKey
BXHBMXLCBPCKJC-WVBSTYLSSA-N
Compound name
[(3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

90
Patents

331.06818 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07546 169.4
[M+Na]+ 354.05740 176.8
[M-H]- 330.06090 168.6
[M+NH4]+ 349.10200 178.7
[M+K]+ 370.03134 176.0
[M+H-H2O]+ 314.06544 159.5
[M+HCOO]- 376.06638 188.8
[M+CH3COO]- 390.08203 202.0
[M+Na-2H]- 352.04285 169.9
[M]+ 331.06763 170.5
[M]- 331.06873 170.5
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