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

literature stripe

Patent stripe

patents stripe