CID 5271957

5-(1-methoxy-2-iodoethyl)uridine

Structural Information

Molecular Formula
C12H17IN2O7
SMILES
COC(CI)C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C12H17IN2O7/c1-21-6(2-13)5-3-15(12(20)14-10(5)19)11-9(18)8(17)7(4-16)22-11/h3,6-9,11,16-18H,2,4H2,1H3,(H,14,19,20)/t6?,7-,8-,9-,11-/m1/s1
InChIKey
OJTJVXAUCCVCCE-NFSOJESZSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-iodo-1-methoxyethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

428.00806 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.01534 181.4
[M+Na]+ 450.99728 182.0
[M-H]- 427.00078 175.0
[M+NH4]+ 446.04188 186.5
[M+K]+ 466.97122 185.7
[M+H-H2O]+ 411.00532 170.7
[M+HCOO]- 473.00626 190.1
[M+CH3COO]- 487.02191 205.6
[M+Na-2H]- 448.98273 167.7
[M]+ 428.00751 179.6
[M]- 428.00861 179.6
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.