CID 485627

Chembl325476

Structural Information

Molecular Formula
C10H15N6O4P
SMILES
C1C[C@@H](O[C@H]1CN2C=NC3=C(N=C(N=C32)N)N)P(=O)(O)O
InChI
InChI=1S/C10H15N6O4P/c11-8-7-9(15-10(12)14-8)16(4-13-7)3-5-1-2-6(20-5)21(17,18)19/h4-6H,1-3H2,(H2,17,18,19)(H4,11,12,14,15)/t5-,6+/m1/s1
InChIKey
GUODURSWQDQDCK-RITPCOANSA-N
Compound name
[(2S,5R)-5-[(2,6-diaminopurin-9-yl)methyl]oxolan-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

314.08923 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09651 168.4
[M+Na]+ 337.07845 175.9
[M-H]- 313.08195 168.5
[M+NH4]+ 332.12305 178.7
[M+K]+ 353.05239 174.2
[M+H-H2O]+ 297.08649 158.1
[M+HCOO]- 359.08743 189.4
[M+CH3COO]- 373.10308 204.3
[M+Na-2H]- 335.06390 168.4
[M]+ 314.08868 166.9
[M]- 314.08978 166.9
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