CID 68368

Nebularine

Structural Information

Molecular Formula
C10H12N4O4
SMILES
C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1
InChIKey
MRWXACSTFXYYMV-FDDDBJFASA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

98
References

13435
Patents

252.08586 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 154.1
[M+Na]+ 275.07508 165.2
[M+NH4]+ 270.11968 159.1
[M+K]+ 291.04902 166.3
[M-H]- 251.07858 154.2
[M+Na-2H]- 273.06053 156.6
[M]+ 252.08531 155.3
[M]- 252.08641 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe