CID 16728571

918877-62-0

Structural Information

Molecular Formula
C9H9IN2O4
SMILES
C1=CN(C(=O)NC1=O)[C@H]2C=C([C@H](O2)CO)I
InChI
InChI=1S/C9H9IN2O4/c10-5-3-8(16-6(5)4-13)12-2-1-7(14)11-9(12)15/h1-3,6,8,13H,4H2,(H,11,14,15)/t6-,8-/m1/s1
InChIKey
BAFLLDXJRDAIJR-HTRCEHHLSA-N
Compound name
1-[(2R,5R)-5-(hydroxymethyl)-4-iodo-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.9607 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.96798 154.1
[M+Na]+ 358.94992 157.3
[M-H]- 334.95342 150.2
[M+NH4]+ 353.99452 164.2
[M+K]+ 374.92386 160.4
[M+H-H2O]+ 318.95796 143.5
[M+HCOO]- 380.95890 168.8
[M+CH3COO]- 394.97455 190.7
[M+Na-2H]- 356.93537 145.8
[M]+ 335.96015 152.0
[M]- 335.96125 152.0
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.