CID 3087572

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

Structural Information

Molecular Formula
C15H14FN3O6
SMILES
C1=CC=C(C=C1)COC(=O)NCC(=O)OCN2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C15H14FN3O6/c16-11-7-19(14(22)18-13(11)21)9-25-12(20)6-17-15(23)24-8-10-4-2-1-3-5-10/h1-5,7H,6,8-9H2,(H,17,23)(H,18,21,22)
InChIKey
PTCLOMBRCRHIIX-UHFFFAOYSA-N
Compound name
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.08667 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09395 174.3
[M+Na]+ 374.07589 181.7
[M-H]- 350.07939 176.1
[M+NH4]+ 369.12049 183.1
[M+K]+ 390.04983 178.3
[M+H-H2O]+ 334.08393 163.6
[M+HCOO]- 396.08487 194.0
[M+CH3COO]- 410.10052 209.0
[M+Na-2H]- 372.06134 177.2
[M]+ 351.08612 176.4
[M]- 351.08722 176.4
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.