CID 3080719

1,3-dideazaadenosine

Structural Information

Molecular Formula
C12H15N3O4
SMILES
C1=CC(=C2C(=C1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI
InChI=1S/C12H15N3O4/c13-6-2-1-3-7-9(6)14-5-15(7)12-11(18)10(17)8(4-16)19-12/h1-3,5,8,10-12,16-18H,4,13H2/t8-,10-,11-,12-/m1/s1
InChIKey
DFNBVHDKNMLJFQ-HJQYOEGKSA-N
Compound name
(2R,3R,4S,5R)-2-(4-aminobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

265.10626 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11354 156.4
[M+Na]+ 288.09548 165.9
[M-H]- 264.09898 159.4
[M+NH4]+ 283.14008 171.7
[M+K]+ 304.06942 162.7
[M+H-H2O]+ 248.10352 150.2
[M+HCOO]- 310.10446 174.5
[M+CH3COO]- 324.12011 168.0
[M+Na-2H]- 286.08093 157.9
[M]+ 265.10571 156.2
[M]- 265.10681 156.2
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

No patent data available for this compound.