CID 10037499

5'-deoxy-5-fluorocytidine

Structural Information

Molecular Formula
C9H12FN3O4
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)O)O
InChI
InChI=1S/C9H12FN3O4/c1-3-5(14)6(15)8(17-3)13-2-4(10)7(11)12-9(13)16/h2-3,5-6,8,14-15H,1H3,(H2,11,12,16)/t3-,5-,6-,8-/m1/s1
InChIKey
YSNABXSEHNLERR-ZIYNGMLESA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

35
References

1276
Patents

245.08118 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08846 153.4
[M+Na]+ 268.07040 162.9
[M+NH4]+ 263.11500 157.7
[M+K]+ 284.04434 162.4
[M-H]- 244.07390 153.4
[M+Na-2H]- 266.05585 154.9
[M]+ 245.08063 154.2
[M]- 245.08173 154.2
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