CID 3074977

169563-63-7

Structural Information

Molecular Formula
C18H20N8O6
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C
InChI
InChI=1S/C18H20N8O6/c1-21-13-11(15(28)23(3)17(21)30)25(8-19-13)5-6-32-10(27)7-26-9-20-14-12(26)16(29)24(4)18(31)22(14)2/h8-9H,5-7H2,1-4H3
InChIKey
WVDUSVOAXNYKFG-UHFFFAOYSA-N
Compound name
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.15057 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.15785 205.8
[M+Na]+ 467.13979 220.8
[M+NH4]+ 462.18439 206.2
[M+K]+ 483.11373 221.4
[M-H]- 443.14329 203.3
[M+Na-2H]- 465.12524 207.2
[M]+ 444.15002 206.8
[M]- 444.15112 206.8
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.