CID 494420

Nsc624017

Structural Information

Molecular Formula
C10H11IN4O4
SMILES
C1=NC2=C(C(=N1)I)N=CN2[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O
InChI
InChI=1S/C10H11IN4O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2/t4-,6-,7-,10-/m0/s1
InChIKey
UNZAHOOMFIAZES-DEGSGYPDSA-N
Compound name
(2S,3R,4S,5S)-2-(hydroxymethyl)-5-(6-iodopurin-9-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.9825 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.98978 160.6
[M+Na]+ 400.97172 164.5
[M-H]- 376.97522 154.8
[M+NH4]+ 396.01632 168.9
[M+K]+ 416.94566 167.2
[M+H-H2O]+ 360.97976 150.0
[M+HCOO]- 422.98070 171.5
[M+CH3COO]- 436.99635 167.8
[M+Na-2H]- 398.95717 151.3
[M]+ 377.98195 159.7
[M]- 377.98305 159.7
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.