PubChemLite - Uridine, 2'-deoxy-5-fluoro-3'-o-(phenylmethyl)-, 5'-acetate (C18H19FN2O7)

Structural Information

Molecular Formula

SMILES

CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H19FN2O7/c1-10(22)26-9-13-15(27-8-11-5-3-2-4-6-11)14(23)17(28-13)21-7-12(19)16(24)20-18(21)25/h2-7,13-15,17,23H,8-9H2,1H3,(H,20,24,25)/t13-,14-,15-,17-/m1/s1

InChIKey

SAZVAFJMKLJBNB-KCYZZUKISA-N

Compound name

[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl acetate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	395.12488	186.4
[M+Na]+	417.10682	194.4
[M-H]-	393.11032	191.2
[M+NH4]+	412.15142	193.8
[M+K]+	433.08076	191.5
[M+H-H2O]+	377.11486	176.4
[M+HCOO]-	439.11580	201.7
[M+CH3COO]-	453.13145	214.8
[M+Na-2H]-	415.09227	184.4
[M]+	394.11705	188.7
[M]-	394.11815	188.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

395.12488

186.4

[M+Na]+

417.10682

194.4

[M-H]-

393.11032

191.2

[M+NH4]+

412.15142

193.8

[M+K]+

433.08076

191.5

[M+H-H2O]+

377.11486

176.4

[M+HCOO]-

439.11580

201.7

[M+CH3COO]-

453.13145

214.8

[M+Na-2H]-

415.09227

184.4

[M]+

394.11705

188.7

[M]-

394.11815

188.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Uridine, 2'-deoxy-5-fluoro-3'-o-(phenylmethyl)-, 5'-acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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