CID 135524690

2-amino-9-[[3-diethoxyphosphoryl-1-(methoxymethyl)propoxy]methyl]purin-6-ol

Structural Information

Molecular Formula
C15H26N5O6P
SMILES
CCOP(=O)(CCC(COC)OCN1C=NC2=C1N=C(NC2=O)N)OCC
InChI
InChI=1S/C15H26N5O6P/c1-4-25-27(22,26-5-2)7-6-11(8-23-3)24-10-20-9-17-12-13(20)18-15(16)19-14(12)21/h9,11H,4-8,10H2,1-3H3,(H3,16,18,19,21)
InChIKey
TWWXFQHMOKSBDF-UHFFFAOYSA-N
Compound name
2-amino-9-[(4-diethoxyphosphoryl-1-methoxybutan-2-yl)oxymethyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.16208 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16936 192.8
[M+Na]+ 426.15130 198.9
[M-H]- 402.15480 189.5
[M+NH4]+ 421.19590 200.2
[M+K]+ 442.12524 197.4
[M+H-H2O]+ 386.15934 181.0
[M+HCOO]- 448.16028 214.3
[M+CH3COO]- 462.17593 222.3
[M+Na-2H]- 424.13675 193.2
[M]+ 403.16153 201.4
[M]- 403.16263 201.4
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

No patent data available for this compound.