CID 477166

(s,s)-isoddamp

Structural Information

Molecular Formula
C10H14N5O5P
SMILES
C1[C@@H](CO[C@@H]1COP(=O)(O)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H14N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-7(19-2-6)3-20-21(16,17)18/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,18)/t6-,7-/m0/s1
InChIKey
KOEIBCWYUYEBJY-BQBZGAKWSA-N
Compound name
[(2S,4S)-4-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.07324 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08052 166.2
[M+Na]+ 338.06246 173.5
[M-H]- 314.06596 166.3
[M+NH4]+ 333.10706 176.7
[M+K]+ 354.03640 172.7
[M+H-H2O]+ 298.07050 155.8
[M+HCOO]- 360.07144 187.0
[M+CH3COO]- 374.08709 200.3
[M+Na-2H]- 336.04791 167.4
[M]+ 315.07269 167.3
[M]- 315.07379 167.3
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.