CID 3052893

Brn 1166068

Structural Information

Molecular Formula
C11H17N4O6P
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOP(=O)(OC)OC
InChI
InChI=1S/C11H17N4O6P/c1-13-9-8(10(16)14(2)11(13)17)15(7-12-9)5-6-21-22(18,19-3)20-4/h7H,5-6H2,1-4H3
InChIKey
WWRWLKATKUYKBD-UHFFFAOYSA-N
Compound name
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.08856 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09584 170.6
[M+Na]+ 355.07778 182.6
[M-H]- 331.08128 170.5
[M+NH4]+ 350.12238 183.0
[M+K]+ 371.05172 181.5
[M+H-H2O]+ 315.08582 160.3
[M+HCOO]- 377.08676 195.7
[M+CH3COO]- 391.10241 209.2
[M+Na-2H]- 353.06323 173.3
[M]+ 332.08801 182.4
[M]- 332.08911 182.4
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.