CID 3075295

5-fluorouracil-1-acetylpentane

Structural Information

Molecular Formula
C11H15FN2O4
SMILES
CCCCCOC(=O)CN1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C11H15FN2O4/c1-2-3-4-5-18-9(15)7-14-6-8(12)10(16)13-11(14)17/h6H,2-5,7H2,1H3,(H,13,16,17)
InChIKey
FEODLFQIOZXXGY-UHFFFAOYSA-N
Compound name
pentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.1016 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10888 153.4
[M+Na]+ 281.09082 162.7
[M-H]- 257.09432 152.0
[M+NH4]+ 276.13542 167.3
[M+K]+ 297.06476 159.4
[M+H-H2O]+ 241.09886 145.0
[M+HCOO]- 303.09980 172.5
[M+CH3COO]- 317.11545 192.4
[M+Na-2H]- 279.07627 156.2
[M]+ 258.10105 156.1
[M]- 258.10215 156.1
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.