CID 471527

Chembl354904

Structural Information

Molecular Formula
C14H18FN3O4
SMILES
CCCCC(=O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C14H18FN3O4/c1-2-3-4-12(19)21-8-9-5-6-11(22-9)18-7-10(15)13(16)17-14(18)20/h5-7,9,11H,2-4,8H2,1H3,(H2,16,17,20)/t9-,11+/m0/s1
InChIKey
HSYGFTDDIDQDAX-GXSJLCMTSA-N
Compound name
[(2S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.12814 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13542 170.0
[M+Na]+ 334.11736 178.3
[M-H]- 310.12086 173.5
[M+NH4]+ 329.16196 182.1
[M+K]+ 350.09130 176.1
[M+H-H2O]+ 294.12540 160.4
[M+HCOO]- 356.12634 189.6
[M+CH3COO]- 370.14199 206.5
[M+Na-2H]- 332.10281 170.1
[M]+ 311.12759 172.4
[M]- 311.12869 172.4
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

No patent data available for this compound.