CID 3052903

Brn 1200884

Structural Information

Molecular Formula
C20H27N8O8P
SMILES
CCOP(=O)(OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)OCCN3C=NC4=C3C(=O)N(C(=O)N4C)C
InChI
InChI=1S/C20H27N8O8P/c1-6-34-37(33,35-9-7-27-11-21-15-13(27)17(29)25(4)19(31)23(15)2)36-10-8-28-12-22-16-14(28)18(30)26(5)20(32)24(16)3/h11-12H,6-10H2,1-5H3
InChIKey
CQDRRXOHVXUBJS-UHFFFAOYSA-N
Compound name
bis[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl] ethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.16895 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.17623 224.3
[M+Na]+ 561.15817 236.6
[M+NH4]+ 556.20277 222.6
[M+K]+ 577.13211 238.9
[M-H]- 537.16167 220.4
[M+Na-2H]- 559.14362 224.2
[M]+ 538.16840 224.4
[M]- 538.16950 224.4
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.