CID 451565

3'-fddmec

Structural Information

Molecular Formula
C10H14FN3O3
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)F
InChI
InChI=1S/C10H14FN3O3/c1-5-3-14(10(16)13-9(5)12)8-2-6(11)7(4-15)17-8/h3,6-8,15H,2,4H2,1H3,(H2,12,13,16)/t6-,7+,8+/m0/s1
InChIKey
YTMNCNXZZRCBFC-XLPZGREQSA-N
Compound name
4-amino-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

132
Patents

243.10191 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10919 152.2
[M+Na]+ 266.09113 161.9
[M-H]- 242.09463 154.8
[M+NH4]+ 261.13573 166.9
[M+K]+ 282.06507 159.3
[M+H-H2O]+ 226.09917 143.9
[M+HCOO]- 288.10011 170.8
[M+CH3COO]- 302.11576 192.1
[M+Na-2H]- 264.07658 153.2
[M]+ 243.10136 150.4
[M]- 243.10246 150.4
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.