CID 452164

2'-azido-2',3'-dideoxy-5-iodouridine

Structural Information

Molecular Formula
C9H10IN5O4
SMILES
C1[C@H](O[C@H]([C@@H]1N=[N+]=[N-])N2C=C(C(=O)NC2=O)I)CO
InChI
InChI=1S/C9H10IN5O4/c10-5-2-15(9(18)12-7(5)17)8-6(13-14-11)1-4(3-16)19-8/h2,4,6,8,16H,1,3H2,(H,12,17,18)/t4-,6+,8+/m0/s1
InChIKey
KHGLCOWLVAGKHT-CVTKMRTPSA-N
Compound name
1-[(2R,3R,5S)-3-azido-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.97775 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.98503 171.4
[M+Na]+ 401.96697 172.5
[M-H]- 377.97047 170.1
[M+NH4]+ 397.01157 179.7
[M+K]+ 417.94091 171.1
[M+H-H2O]+ 361.97501 163.6
[M+HCOO]- 423.97595 190.7
[M+CH3COO]- 437.99160 201.2
[M+Na-2H]- 399.95242 166.0
[M]+ 378.97720 165.7
[M]- 378.97830 165.7
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.