CID 451862

5-iodo-2',3'-dideoxyuridine

Structural Information

Molecular Formula
C9H11IN2O4
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)I
InChI
InChI=1S/C9H11IN2O4/c10-6-3-12(9(15)11-8(6)14)7-2-1-5(4-13)16-7/h3,5,7,13H,1-2,4H2,(H,11,14,15)/t5-,7+/m0/s1
InChIKey
OBGFSDPYSQAECJ-CAHLUQPWSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

93
Patents

337.97635 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.98363 155.1
[M+Na]+ 360.96557 157.3
[M-H]- 336.96907 150.8
[M+NH4]+ 356.01017 165.0
[M+K]+ 376.93951 160.6
[M+H-H2O]+ 320.97361 144.5
[M+HCOO]- 382.97455 168.4
[M+CH3COO]- 396.99020 191.0
[M+Na-2H]- 358.95102 145.9
[M]+ 337.97580 151.6
[M]- 337.97690 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.