CID 9840777

Ropidoxuridine

Structural Information

Molecular Formula
C9H11IN2O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C=NC2=O)I)CO)O
InChI
InChI=1S/C9H11IN2O4/c10-5-2-11-9(15)12(3-5)8-1-6(14)7(4-13)16-8/h2-3,6-8,13-14H,1,4H2/t6-,7+,8+/m0/s1
InChIKey
XIJXHOVKJAXCGJ-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

1485
Patents

337.97635 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.98363 156.1
[M+Na]+ 360.96557 158.1
[M-H]- 336.96907 151.9
[M+NH4]+ 356.01017 166.0
[M+K]+ 376.93951 161.9
[M+H-H2O]+ 320.97361 145.5
[M+HCOO]- 382.97455 169.2
[M+CH3COO]- 396.99020 191.6
[M+Na-2H]- 358.95102 147.0
[M]+ 337.97580 153.3
[M]- 337.97690 153.3
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

patents stripe