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 164.7
[M+Na]+ 328.05514 173.4
[M-H]- 304.05864 163.7
[M+NH4]+ 323.09974 172.6
[M+K]+ 344.02908 170.7
[M+H-H2O]+ 288.06318 156.2
[M+HCOO]- 350.06412 176.4
[M+CH3COO]- 364.07977 199.2
[M+Na-2H]- 326.04059 163.6
[M]+ 305.06537 160.0
[M]- 305.06647 160.0
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.