CID 5271924

Chembl52958

Structural Information

Molecular Formula
C10H16N5O5P
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC[C@@H](CO)OCP(=O)(O)O)N
InChI
InChI=1S/C10H16N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)2-1-7(3-16)20-6-21(17,18)19/h4-5,7,16H,1-3,6H2,(H2,11,12,13)(H2,17,18,19)/t7-/m0/s1
InChIKey
ZMRDXBQFNIUXHM-ZETCQYMHSA-N
Compound name
[(2S)-4-(6-aminopurin-9-yl)-1-hydroxybutan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.0889 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09618 170.1
[M+Na]+ 340.07812 176.8
[M-H]- 316.08162 164.6
[M+NH4]+ 335.12272 179.5
[M+K]+ 356.05206 174.5
[M+H-H2O]+ 300.08616 159.6
[M+HCOO]- 362.08710 190.1
[M+CH3COO]- 376.10275 200.5
[M+Na-2H]- 338.06357 172.3
[M]+ 317.08835 172.4
[M]- 317.08945 172.4
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.