CID 215495

Brn 0590008

Structural Information

Molecular Formula
C14H18N6O5
SMILES
C1COCCN1C(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O
InChI
InChI=1S/C14H18N6O5/c15-11-7-12(17-5-16-11)20(6-18-7)14-9(22)8(21)10(25-14)13(23)19-1-3-24-4-2-19/h5-6,8-10,14,21-22H,1-4H2,(H2,15,16,17)/t8-,9+,10-,14+/m0/s1
InChIKey
JTFIVVXISJENJT-AEISUSGSSA-N
Compound name
[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13388 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14116 179.1
[M+Na]+ 373.12310 186.2
[M-H]- 349.12660 182.8
[M+NH4]+ 368.16770 185.0
[M+K]+ 389.09704 184.2
[M+H-H2O]+ 333.13114 169.7
[M+HCOO]- 395.13208 189.3
[M+CH3COO]- 409.14773 187.3
[M+Na-2H]- 371.10855 177.3
[M]+ 350.13333 176.9
[M]- 350.13443 176.9
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.