CID 64394

Beta-d-ribofuranuronamide, 1-(6-amino-9h-purin-9-yl)-1-deoxy-n-tricyclo(3.3.1.1(sup 3,7)dec-1-yl)-

Structural Information

Molecular Formula
C20H26N6O4
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O
InChI
InChI=1S/C20H26N6O4/c21-16-12-17(23-7-22-16)26(8-24-12)19-14(28)13(27)15(30-19)18(29)25-20-4-9-1-10(5-20)3-11(2-9)6-20/h7-11,13-15,19,27-28H,1-6H2,(H,25,29)(H2,21,22,23)/t9?,10?,11?,13-,14+,15-,19+,20?/m0/s1
InChIKey
CPOJGSHCVPOTHR-XAWDNZOJSA-N
Compound name
(2S,3S,4R,5R)-N-(1-adamantyl)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.20154 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20882 177.4
[M+Na]+ 437.19076 179.7
[M-H]- 413.19426 173.7
[M+NH4]+ 432.23536 190.4
[M+K]+ 453.16470 176.9
[M+H-H2O]+ 397.19880 168.6
[M+HCOO]- 459.19974 177.4
[M+CH3COO]- 473.21539 182.3
[M+Na-2H]- 435.17621 182.3
[M]+ 414.20099 177.9
[M]- 414.20209 177.9
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.