CID 5271953

5-(1-hydroxy-2-iodoethyl)-2'-deoxyuridine

Structural Information

Molecular Formula
C11H15IN2O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(CI)O)CO)O
InChI
InChI=1S/C11H15IN2O6/c12-2-7(17)5-3-14(11(19)13-10(5)18)9-1-6(16)8(4-15)20-9/h3,6-9,15-17H,1-2,4H2,(H,13,18,19)/t6-,7?,8+,9+/m0/s1
InChIKey
DDNHPEKPXBAHJG-KKVHJZIVSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-hydroxy-2-iodoethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.99747 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.00475 174.1
[M+Na]+ 420.98669 174.6
[M-H]- 396.99019 167.5
[M+NH4]+ 416.03129 180.3
[M+K]+ 436.96063 177.7
[M+H-H2O]+ 380.99473 163.5
[M+HCOO]- 442.99567 183.1
[M+CH3COO]- 457.01132 199.2
[M+Na-2H]- 418.97214 161.3
[M]+ 397.99692 170.3
[M]- 397.99802 170.3
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.