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

literature stripe

Patent stripe

patents stripe