CID 135516767

Sr 3759

Structural Information

Molecular Formula
C10H14N5O5P
SMILES
C1CP(=O)(OCC1OCN2C=NC3=C2N=C(NC3=O)N)O
InChI
InChI=1S/C10H14N5O5P/c11-10-13-8-7(9(16)14-10)12-4-15(8)5-19-6-1-2-21(17,18)20-3-6/h4,6H,1-3,5H2,(H,17,18)(H3,11,13,14,16)
InChIKey
VTVBXJUWLFNBMF-UHFFFAOYSA-N
Compound name
2-amino-9-[(2-hydroxy-2-oxo-1,2lambda5-oxaphosphinan-5-yl)oxymethyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

315.07324 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08052 165.6
[M+Na]+ 338.06246 174.6
[M-H]- 314.06596 165.3
[M+NH4]+ 333.10706 176.4
[M+K]+ 354.03640 172.2
[M+H-H2O]+ 298.07050 154.3
[M+HCOO]- 360.07144 186.0
[M+CH3COO]- 374.08709 200.4
[M+Na-2H]- 336.04791 167.7
[M]+ 315.07269 165.4
[M]- 315.07379 165.4
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