CID 5271955

5-(1-hydroxy-2-iodoethyl)uridine

Structural Information

Molecular Formula
C11H15IN2O7
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(CI)O
InChI
InChI=1S/C11H15IN2O7/c12-1-5(16)4-2-14(11(20)13-9(4)19)10-8(18)7(17)6(3-15)21-10/h2,5-8,10,15-18H,1,3H2,(H,13,19,20)/t5?,6-,7-,8-,10-/m1/s1
InChIKey
QRHWSWOLWKGFDK-QZPVKTSASA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-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

413.9924 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.99968 178.5
[M+Na]+ 436.98162 179.1
[M-H]- 412.98512 171.1
[M+NH4]+ 432.02622 183.5
[M+K]+ 452.95556 182.2
[M+H-H2O]+ 396.98966 168.2
[M+HCOO]- 458.99060 186.1
[M+CH3COO]- 473.00625 201.0
[M+Na-2H]- 434.96707 164.7
[M]+ 413.99185 174.7
[M]- 413.99295 174.7
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.