CID 513057

Methyl 5-deoxy-2-o-(2-fluorobenzyl)-5-n-(5-fluorouracil-1-yl)-.alpha.-d-xylofuranoside

Structural Information

Molecular Formula
C17H18F2N2O6
SMILES
CO[C@@H]1[C@@H]([C@H]([C@H](O1)CN2C=C(C(=O)NC2=O)F)O)OCC3=CC=CC=C3F
InChI
InChI=1S/C17H18F2N2O6/c1-25-16-14(26-8-9-4-2-3-5-10(9)18)13(22)12(27-16)7-21-6-11(19)15(23)20-17(21)24/h2-6,12-14,16,22H,7-8H2,1H3,(H,20,23,24)/t12-,13+,14-,16+/m1/s1
InChIKey
DLBVCDLQSCAHOG-CTASWTNQSA-N
Compound name
5-fluoro-1-[[(2R,3S,4R,5S)-4-[(2-fluorophenyl)methoxy]-3-hydroxy-5-methoxyoxolan-2-yl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.11328 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12056 184.1
[M+Na]+ 407.10250 193.7
[M-H]- 383.10600 187.9
[M+NH4]+ 402.14710 192.3
[M+K]+ 423.07644 189.7
[M+H-H2O]+ 367.11054 173.4
[M+HCOO]- 429.11148 199.2
[M+CH3COO]- 443.12713 213.8
[M+Na-2H]- 405.08795 182.1
[M]+ 384.11273 185.4
[M]- 384.11383 185.4
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.