CID 457822

1-[2,3-dideoxy-3-c-(hydroxymethyl)-3-c-methyl-.beta.-d-glycero-tetrafuranosyl]-5-fluorocytosine

Structural Information

Molecular Formula
C10H14FN3O3
SMILES
C[C@]1(C[C@@H](OC1)N2C=C(C(=NC2=O)N)F)CO
InChI
InChI=1S/C10H14FN3O3/c1-10(4-15)2-7(17-5-10)14-3-6(11)8(12)13-9(14)16/h3,7,15H,2,4-5H2,1H3,(H2,12,13,16)/t7-,10+/m1/s1
InChIKey
FSNFMYBMOMLWEL-XCBNKYQSSA-N
Compound name
4-amino-5-fluoro-1-[(2R,4S)-4-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.10191 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10919 149.9
[M+Na]+ 266.09113 159.7
[M-H]- 242.09463 152.5
[M+NH4]+ 261.13573 166.4
[M+K]+ 282.06507 157.4
[M+H-H2O]+ 226.09917 142.2
[M+HCOO]- 288.10011 168.6
[M+CH3COO]- 302.11576 190.4
[M+Na-2H]- 264.07658 153.1
[M]+ 243.10136 148.1
[M]- 243.10246 148.1
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.