CID 453473

4-deoxo-5-i-azt

Structural Information

Molecular Formula
C9H10IN5O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C=NC2=O)I)CO)N=[N+]=[N-]
InChI
InChI=1S/C9H10IN5O3/c10-5-2-12-9(17)15(3-5)8-1-6(13-14-11)7(4-16)18-8/h2-3,6-8,16H,1,4H2/t6-,7+,8+/m0/s1
InChIKey
DKZLYMPLOIVZCD-XLPZGREQSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.98285 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.99013 167.7
[M+Na]+ 385.97207 168.4
[M-H]- 361.97557 167.3
[M+NH4]+ 381.01667 177.1
[M+K]+ 401.94601 167.9
[M+H-H2O]+ 345.98011 159.5
[M+HCOO]- 407.98105 188.2
[M+CH3COO]- 421.99670 201.1
[M+Na-2H]- 383.95752 163.2
[M]+ 362.98230 162.8
[M]- 362.98340 162.8
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.