CID 466395

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

Structural Information

Molecular Formula
C9H11F2N3O3
SMILES
C1[C@@H](O[C@@H](C1(F)F)N2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C9H11F2N3O3/c10-9(11)3-5(4-15)17-7(9)14-2-1-6(12)13-8(14)16/h1-2,5,7,15H,3-4H2,(H2,12,13,16)/t5-,7+/m1/s1
InChIKey
VIRXEXFEGDYSIV-VDTYLAMSSA-N
Compound name
4-amino-1-[(2S,5R)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

247.07684 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08412 147.8
[M+Na]+ 270.06606 158.1
[M-H]- 246.06956 149.2
[M+NH4]+ 265.11066 164.0
[M+K]+ 286.04000 155.6
[M+H-H2O]+ 230.07410 139.3
[M+HCOO]- 292.07504 165.8
[M+CH3COO]- 306.09069 190.1
[M+Na-2H]- 268.05151 151.0
[M]+ 247.07629 144.6
[M]- 247.07739 144.6
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.