CID 469770

1-(2,3-dideoxy-2,2-difluoro-.beta.-l-glyceropentofuranosyl)-5-iodouracil

Structural Information

Molecular Formula
C9H9F2IN2O4
SMILES
C1[C@@H](O[C@@H](C1(F)F)N2C=C(C(=O)NC2=O)I)CO
InChI
InChI=1S/C9H9F2IN2O4/c10-9(11)1-4(3-15)18-7(9)14-2-5(12)6(16)13-8(14)17/h2,4,7,15H,1,3H2,(H,13,16,17)/t4-,7+/m1/s1
InChIKey
LZPQPIFVKYFSSS-FBCQKBJTSA-N
Compound name
1-[(2S,5R)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.95752 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.96480 155.7
[M+Na]+ 396.94674 159.9
[M-H]- 372.95024 149.7
[M+NH4]+ 391.99134 166.5
[M+K]+ 412.92068 162.6
[M+H-H2O]+ 356.95478 144.6
[M+HCOO]- 418.95572 167.2
[M+CH3COO]- 432.97137 196.9
[M+Na-2H]- 394.93219 146.6
[M]+ 373.95697 151.1
[M]- 373.95807 151.1
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.