PubChemLite - 162204-20-8 (C19H26FN3O8)

Structural Information

Molecular Formula

SMILES

CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C19H26FN3O8/c1-5-6-7-8-28-19(27)22-16-13(20)9-23(18(26)21-16)17-15(31-12(4)25)14(10(2)29-17)30-11(3)24/h9-10,14-15,17H,5-8H2,1-4H3,(H,21,22,26,27)/t10-,14-,15-,17-/m1/s1

InChIKey

WMJHGZFQHPCWQZ-GWBBYGMBSA-N

Compound name

[(2R,3R,4R,5R)-4-acetyloxy-5-[5-fluoro-2-oxo-4-(pentoxycarbonylamino)pyrimidin-1-yl]-2-methyloxolan-3-yl] 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]+	444.17766	199.4
[M+Na]+	466.15960	205.4
[M-H]-	442.16310	203.2
[M+NH4]+	461.20420	206.3
[M+K]+	482.13354	205.6
[M+H-H2O]+	426.16764	189.8
[M+HCOO]-	488.16858	215.6
[M+CH3COO]-	502.18423	232.7
[M+Na-2H]-	464.14505	194.7
[M]+	443.16983	206.8
[M]-	443.17093	206.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.17766

199.4

[M+Na]+

466.15960

205.4

[M-H]-

442.16310

203.2

[M+NH4]+

461.20420

206.3

[M+K]+

482.13354

205.6

[M+H-H2O]+

426.16764

189.8

[M+HCOO]-

488.16858

215.6

[M+CH3COO]-

502.18423

232.7

[M+Na-2H]-

464.14505

194.7

[M]+

443.16983

206.8

[M]-

443.17093

206.8

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

162204-20-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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