CID 135493897

Nsc677994

Structural Information

Molecular Formula
C20H24N4O10
SMILES
CCOC(=O)CC1=NC2=C(N1[C@@H]3[C@@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)N=CNC2=O
InChI
InChI=1S/C20H24N4O10/c1-5-30-14(28)6-13-23-15-18(21-8-22-19(15)29)24(13)20-17(33-11(4)27)16(32-10(3)26)12(34-20)7-31-9(2)25/h8,12,16-17,20H,5-7H2,1-4H3,(H,21,22,29)/t12-,16+,17-,20+/m1/s1
InChIKey
OSPRMIGYTHGMMX-VWHWKWRLSA-N
Compound name
ethyl 2-[9-[(2S,3R,4S,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-6-oxo-1H-purin-8-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.14923 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.15651 202.7
[M+Na]+ 503.13845 209.2
[M-H]- 479.14195 206.1
[M+NH4]+ 498.18305 207.3
[M+K]+ 519.11239 210.2
[M+H-H2O]+ 463.14649 194.9
[M+HCOO]- 525.14743 215.8
[M+CH3COO]- 539.16308 233.4
[M+Na-2H]- 501.12390 198.0
[M]+ 480.14868 213.8
[M]- 480.14978 213.8
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.