CID 6435808

Tezacitabine

Structural Information

Molecular Formula
C10H12FN3O4
SMILES
C1=CN(C(=O)N=C1N)[C@H]2/C(=C/F)/[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C10H12FN3O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-3,6,8-9,15-16H,4H2,(H2,12,13,17)/b5-3+/t6-,8+,9-/m1/s1
InChIKey
GFFXZLZWLOBBLO-ASKVSEFXSA-N
Compound name
4-amino-1-[(2R,3E,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

31
References

6100
Patents

257.08118 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08846 154.5
[M+Na]+ 280.07040 164.0
[M-H]- 256.07390 155.9
[M+NH4]+ 275.11500 167.8
[M+K]+ 296.04434 160.5
[M+H-H2O]+ 240.07844 146.4
[M+HCOO]- 302.07938 172.0
[M+CH3COO]- 316.09503 190.8
[M+Na-2H]- 278.05585 155.2
[M]+ 257.08063 151.5
[M]- 257.08173 151.5
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