CID 493223

6'-iodo acetylenic ado

Structural Information

Molecular Formula
C11H10IN5O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H](C(O3)C#CI)O)O)N
InChI
InChI=1S/C11H10IN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h3-5,7-8,11,18-19H,(H2,13,14,15)/t5?,7-,8-,11-/m1/s1
InChIKey
SLDOTDVQNFUCHQ-YQYOSIFRSA-N
Compound name
(2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(2-iodoethynyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

386.98285 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.99013 162.2
[M+Na]+ 409.97207 167.3
[M-H]- 385.97557 154.5
[M+NH4]+ 405.01667 168.3
[M+K]+ 425.94601 167.3
[M+H-H2O]+ 369.98011 144.5
[M+HCOO]- 431.98105 169.1
[M+CH3COO]- 445.99670 167.1
[M+Na-2H]- 407.95752 152.3
[M]+ 386.98230 154.1
[M]- 386.98340 154.1
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.