CID 5274104

Schembl24197344

Structural Information

Molecular Formula
C11H16N5O4P
SMILES
C1C[C@@H](O[C@@H]1CCP(=O)(O)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H16N5O4P/c12-10-9-11(14-5-13-10)16(6-15-9)8-2-1-7(20-8)3-4-21(17,18)19/h5-8H,1-4H2,(H2,12,13,14)(H2,17,18,19)/t7-,8+/m0/s1
InChIKey
CEYQZUIQPPDKMZ-JGVFFNPUSA-N
Compound name
2-[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.094 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10128 169.3
[M+Na]+ 336.08322 176.6
[M-H]- 312.08672 169.2
[M+NH4]+ 331.12782 180.0
[M+K]+ 352.05716 174.8
[M+H-H2O]+ 296.09126 158.8
[M+HCOO]- 358.09220 189.6
[M+CH3COO]- 372.10785 200.8
[M+Na-2H]- 334.06867 169.6
[M]+ 313.09345 169.4
[M]- 313.09455 169.4
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

patents stripe