CID 173266

5-fluorouracil glucuronamide

Structural Information

Molecular Formula
C10H12FN3O7
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)N)O)O)O)F
InChI
InChI=1S/C10H12FN3O7/c11-2-1-14(10(20)13-8(2)19)9-5(17)3(15)4(16)6(21-9)7(12)18/h1,3-6,9,15-17H,(H2,12,18)(H,13,19,20)/t3-,4-,5+,6-,9+/m0/s1
InChIKey
PERCEIMMBVMDHG-HYMLEYLXSA-N
Compound name
(2S,3S,4S,5R,6R)-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4,5-trihydroxyoxane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.06592 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07320 166.1
[M+Na]+ 328.05514 173.8
[M+NH4]+ 323.09974 167.2
[M+K]+ 344.02908 174.1
[M-H]- 304.05864 163.6
[M+Na-2H]- 326.04059 164.8
[M]+ 305.06537 165.5
[M]- 305.06647 165.5
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

No patent data available for this compound.