CID 3044930

Brn 0588821

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]+ 353.15678 178.3
[M+Na]+ 375.13872 185.8
[M-H]- 351.14222 180.0
[M+NH4]+ 370.18332 187.2
[M+K]+ 391.11266 183.6
[M+H-H2O]+ 335.14676 169.6
[M+HCOO]- 397.14770 194.9
[M+CH3COO]- 411.16335 213.1
[M+Na-2H]- 373.12417 178.7
[M]+ 352.14895 180.8
[M]- 352.15005 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.