CID 386039

Nsc677605

Structural Information

Molecular Formula
C20H25N5O9
SMILES
CCOC(=O)CC1=NC2=C(N=CN=C2N1C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)N
InChI
InChI=1S/C20H25N5O9/c1-5-30-14(29)6-13-24-15-18(21)22-8-23-19(15)25(13)20-17(33-11(4)28)16(32-10(3)27)12(34-20)7-31-9(2)26/h8,12,16-17,20H,5-7H2,1-4H3,(H2,21,22,23)
InChIKey
JILPFSJURDTFKI-UHFFFAOYSA-N
Compound name
ethyl 2-[6-amino-9-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]purin-8-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.16522 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.17250 206.1
[M+Na]+ 502.15444 212.2
[M-H]- 478.15794 210.4
[M+NH4]+ 497.19904 211.0
[M+K]+ 518.12838 213.5
[M+H-H2O]+ 462.16248 197.7
[M+HCOO]- 524.16342 220.8
[M+CH3COO]- 538.17907 238.7
[M+Na-2H]- 500.13989 201.3
[M]+ 479.16467 216.6
[M]- 479.16577 216.6
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.