CID 451897

2',3'-dideoxy-2',3'-diiodo-2',3'-secothymidine

Structural Information

Molecular Formula
C10H14I2N2O4
SMILES
CC1=CN(C(=O)NC1=O)C(CI)OC(CO)CI
InChI
InChI=1S/C10H14I2N2O4/c1-6-4-14(10(17)13-9(6)16)8(3-12)18-7(2-11)5-15/h4,7-8,15H,2-3,5H2,1H3,(H,13,16,17)
InChIKey
FAXBIAANZQNZPO-UHFFFAOYSA-N
Compound name
1-[1-(1-hydroxy-3-iodopropan-2-yl)oxy-2-iodoethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

479.9043 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.91158 168.3
[M+Na]+ 502.89352 161.5
[M-H]- 478.89702 156.0
[M+NH4]+ 497.93812 171.4
[M+K]+ 518.86746 170.7
[M+H-H2O]+ 462.90156 155.4
[M+HCOO]- 524.90250 175.0
[M+CH3COO]- 538.91815 212.8
[M+Na-2H]- 500.87897 152.5
[M]+ 479.90375 165.0
[M]- 479.90485 165.0
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.