CID 490419

Chembl2367982

Structural Information

Molecular Formula
C10H12FN3O4
SMILES
C1=C([C@@H]([C@@H]([C@H]1N2C=C(C(=NC2=O)N)F)O)O)CO
InChI
InChI=1S/C10H12FN3O4/c11-5-2-14(10(18)13-9(5)12)6-1-4(3-15)7(16)8(6)17/h1-2,6-8,15-17H,3H2,(H2,12,13,18)/t6-,7-,8+/m0/s1
InChIKey
MTTFZWRVGJHJQX-BIIVOSGPSA-N
Compound name
4-amino-1-[(1S,4S,5R)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-fluoropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

257.08118 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08846 153.1
[M+Na]+ 280.07040 163.4
[M-H]- 256.07390 153.2
[M+NH4]+ 275.11500 167.3
[M+K]+ 296.04434 158.9
[M+H-H2O]+ 240.07844 145.4
[M+HCOO]- 302.07938 171.2
[M+CH3COO]- 316.09503 190.9
[M+Na-2H]- 278.05585 153.0
[M]+ 257.08063 150.3
[M]- 257.08173 150.3
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.