CID 3044930

Ribofuranuronamide, 1-(6-amino-9h-purin-9-yl)-1-deoxy-n-(2-ethoxyethyl)-

Structural Information

Molecular Formula
C14H20N6O5
SMILES
CCOCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C14H20N6O5/c1-2-24-4-3-16-13(23)10-8(21)9(22)14(25-10)20-6-19-7-11(15)17-5-18-12(7)20/h5-6,8-10,14,21-22H,2-4H2,1H3,(H,16,23)(H2,15,17,18)/t8-,9+,10-,14+/m0/s1
InChIKey
ANYSYCIUVGQIFM-AEISUSGSSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(2-ethoxyethyl)-3,4-dihydroxyoxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1495 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.156776 178.3
[M+Na]+ 375.138718 185.8
[M-H]- 351.142224 180.0
[M+NH4]+ 370.183323 187.2
[M+K]+ 391.112658 183.6
[M+H-H2O]+ 335.146760 169.6
[M+HCOO]- 397.147701 194.9
[M+CH3COO]- 411.163351 213.1
[M+Na-2H]- 373.124166 178.7
[M]+ 352.14895142 180.8
[M]- 352.15004858 180.8
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.