CID 485630

Bch-2589

Structural Information

Molecular Formula
C9H13N6O5P
SMILES
C1[C@@H](O[C@H](O1)P(=O)(O)O)CN2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C9H13N6O5P/c10-6-5-7(14-8(11)13-6)15(3-12-5)1-4-2-19-9(20-4)21(16,17)18/h3-4,9H,1-2H2,(H2,16,17,18)(H4,10,11,13,14)/t4-,9-/m0/s1
InChIKey
CBAUCNWHGMTRGJ-IGJIYHIXSA-N
Compound name
[(2S,4S)-4-[(2,6-diaminopurin-9-yl)methyl]-1,3-dioxolan-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0685 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07578 168.9
[M+Na]+ 339.05772 176.7
[M-H]- 315.06122 169.7
[M+NH4]+ 334.10232 177.7
[M+K]+ 355.03166 176.5
[M+H-H2O]+ 299.06576 158.8
[M+HCOO]- 361.06670 189.3
[M+CH3COO]- 375.08235 204.2
[M+Na-2H]- 337.04317 169.7
[M]+ 316.06795 168.9
[M]- 316.06905 168.9
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

No patent data available for this compound.