PubChemLite - 863329-65-1 (C24H21FN2O7)

Structural Information

Molecular Formula

SMILES

C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C24H21FN2O7/c1-24(25)19(34-21(30)16-10-6-3-7-11-16)17(14-32-20(29)15-8-4-2-5-9-15)33-22(24)27-13-12-18(28)26-23(27)31/h2-13,17,19,22H,14H2,1H3,(H,26,28,31)/t17-,19-,22-,24-/m1/s1

InChIKey

OUDQYAYIRAUNLO-PDKZGUECSA-N

Compound name

[(2R,3R,4R,5R)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate

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]+	469.14055	205.9
[M+Na]+	491.12249	212.9
[M-H]-	467.12599	214.8
[M+NH4]+	486.16709	211.8
[M+K]+	507.09643	209.9
[M+H-H2O]+	451.13053	194.2
[M+HCOO]-	513.13147	221.0
[M+CH3COO]-	527.14712	228.7
[M+Na-2H]-	489.10794	204.3
[M]+	468.13272	207.9
[M]-	468.13382	207.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.14055

205.9

[M+Na]+

491.12249

212.9

[M-H]-

467.12599

214.8

[M+NH4]+

486.16709

211.8

[M+K]+

507.09643

209.9

[M+H-H2O]+

451.13053

194.2

[M+HCOO]-

513.13147

221.0

[M+CH3COO]-

527.14712

228.7

[M+Na-2H]-

489.10794

204.3

[M]+

468.13272

207.9

[M]-

468.13382

207.9

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

863329-65-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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