CID 16861

5-fluorocytidine

Structural Information

Molecular Formula
C9H12FN3O5
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F
InChI
InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1
InChIKey
STRZQWQNZQMHQR-UAKXSSHOSA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7483
References

2483
Patents

261.0761 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08338 156.6
[M+Na]+ 284.06532 165.0
[M+NH4]+ 279.10992 159.9
[M+K]+ 300.03926 165.4
[M-H]- 260.06882 155.6
[M+Na-2H]- 282.05077 156.9
[M]+ 261.07555 156.8
[M]- 261.07665 156.8
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