CID 515086

[2-(hydroxymethyl)-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] nitrate

Structural Information

Molecular Formula
C9H10IN3O7
SMILES
C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O[N+](=O)[O-]
InChI
InChI=1S/C9H10IN3O7/c10-4-2-12(9(16)11-8(4)15)7-1-5(20-13(17)18)6(3-14)19-7/h2,5-7,14H,1,3H2,(H,11,15,16)
InChIKey
WZYDJRJDUGXQTO-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.95636 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.96364 172.4
[M+Na]+ 421.94558 173.1
[M-H]- 397.94908 168.7
[M+NH4]+ 416.99018 178.8
[M+K]+ 437.91952 173.2
[M+H-H2O]+ 381.95362 165.5
[M+HCOO]- 443.95456 186.5
[M+CH3COO]- 457.97021 195.6
[M+Na-2H]- 419.93103 165.0
[M]+ 398.95581 168.9
[M]- 398.95691 168.9
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.