CID 9575007

5-iodo-1-(4-hydroxyimino-5-hydroxymethyltetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H10IN3O5
SMILES
C\1[C@@H](O[C@@H](/C1=N\O)CO)N2C=C(C(=O)NC2=O)I
InChI
InChI=1S/C9H10IN3O5/c10-4-2-13(9(16)11-8(4)15)7-1-5(12-17)6(3-14)18-7/h2,6-7,14,17H,1,3H2,(H,11,15,16)/b12-5-/t6-,7-/m1/s1
InChIKey
UGDHBHJGTGLTBS-AFISDSLOSA-N
Compound name
1-[(2R,4Z,5S)-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.96652 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.97380 164.1
[M+Na]+ 389.95574 166.3
[M-H]- 365.95924 160.3
[M+NH4]+ 385.00034 172.6
[M+K]+ 405.92968 169.5
[M+H-H2O]+ 349.96378 153.1
[M+HCOO]- 411.96472 178.5
[M+CH3COO]- 425.98037 198.2
[M+Na-2H]- 387.94119 154.6
[M]+ 366.96597 160.8
[M]- 366.96707 160.8
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.