CID 469772

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

Structural Information

Molecular Formula
C9H10F2IN3O3
SMILES
C1[C@@H](O[C@@H](C1(F)F)N2C=C(C(=NC2=O)N)I)CO
InChI
InChI=1S/C9H10F2IN3O3/c10-9(11)1-4(3-16)18-7(9)15-2-5(12)6(13)14-8(15)17/h2,4,7,16H,1,3H2,(H2,13,14,17)/t4-,7+/m1/s1
InChIKey
MFNJOCIJBHADHI-FBCQKBJTSA-N
Compound name
4-amino-1-[(2S,5R)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.9735 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.98078 160.2
[M+Na]+ 395.96272 163.8
[M-H]- 371.96622 154.9
[M+NH4]+ 391.00732 171.1
[M+K]+ 411.93666 166.9
[M+H-H2O]+ 355.97076 148.4
[M+HCOO]- 417.97170 173.0
[M+CH3COO]- 431.98735 202.0
[M+Na-2H]- 393.94817 150.6
[M]+ 372.97295 155.0
[M]- 372.97405 155.0
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.