CID 3073493

1-(n-tert-butyloxycarbonyl)glycyloxymethyl-5-fluorouracil

Structural Information

Molecular Formula
C12H16FN3O6
SMILES
CC(C)(C)OC(=O)NCC(=O)OCN1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C12H16FN3O6/c1-12(2,3)22-11(20)14-4-8(17)21-6-16-5-7(13)9(18)15-10(16)19/h5H,4,6H2,1-3H3,(H,14,20)(H,15,18,19)
InChIKey
YBMMLOWXLDQBNN-UHFFFAOYSA-N
Compound name
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

317.10233 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10961 166.4
[M+Na]+ 340.09155 174.5
[M-H]- 316.09505 165.4
[M+NH4]+ 335.13615 177.5
[M+K]+ 356.06549 172.9
[M+H-H2O]+ 300.09959 158.0
[M+HCOO]- 362.10053 184.2
[M+CH3COO]- 376.11618 203.6
[M+Na-2H]- 338.07700 169.3
[M]+ 317.10178 169.5
[M]- 317.10288 169.5
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

patents stripe