CID 65356

Ddamp

Structural Information

Molecular Formula
C10H14N5O5P
SMILES
C1C[C@@H](O[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)7-2-1-6(20-7)3-19-21(16,17)18/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
InChIKey
PUSXDQXVJDGIBK-NKWVEPMBSA-N
Compound name
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

471
Patents

315.07324 Da
Monoisotopic Mass

-1.3
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

literature stripe

Patent stripe

patents stripe