CID 5271960

5-(1-hydroxy-2,2-iodoethyl)uridine

Structural Information

Molecular Formula
C11H14I2N2O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(C(I)I)O)CO)O
InChI
InChI=1S/C11H14I2N2O6/c12-9(13)8(18)4-2-15(11(20)14-10(4)19)7-1-5(17)6(3-16)21-7/h2,5-9,16-18H,1,3H2,(H,14,19,20)/t5-,6+,7+,8?/m0/s1
InChIKey
WPEFOXWIOSPBJW-FWYCZPIQSA-N
Compound name
5-(1-hydroxy-2,2-diiodoethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

523.8941 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.90138 180.9
[M+Na]+ 546.88332 173.4
[M-H]- 522.88682 170.0
[M+NH4]+ 541.92792 181.7
[M+K]+ 562.85726 182.9
[M+H-H2O]+ 506.89136 168.3
[M+HCOO]- 568.89230 183.8
[M+CH3COO]- 582.90795 214.9
[M+Na-2H]- 544.86877 162.1
[M]+ 523.89355 174.6
[M]- 523.89465 174.6
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.