CID 488246

127911-92-6

Structural Information

Molecular Formula
C12H17IN2O6
SMILES
COC(CI)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H17IN2O6/c1-20-8(3-13)6-4-15(12(19)14-11(6)18)10-2-7(17)9(5-16)21-10/h4,7-10,16-17H,2-3,5H2,1H3,(H,14,18,19)/t7-,8?,9+,10+/m0/s1
InChIKey
GOBHCHXDANJDHX-NKSXPTFNSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-iodo-1-methoxyethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

412.01312 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.02040 177.1
[M+Na]+ 435.00234 177.6
[M-H]- 411.00584 171.6
[M+NH4]+ 430.04694 183.4
[M+K]+ 450.97628 181.3
[M+H-H2O]+ 395.01038 166.1
[M+HCOO]- 457.01132 187.2
[M+CH3COO]- 471.02697 203.9
[M+Na-2H]- 432.98779 164.3
[M]+ 412.01257 175.3
[M]- 412.01367 175.3
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.