PubChemLite - Tei-6170 (C23H40FN2O8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCOP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)O

InChI

InChI=1S/C23H40FN2O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-32-35(30,31)33-17-20-19(27)15-21(34-20)26-16-18(24)22(28)25-23(26)29/h16,19-21,27H,2-15,17H2,1H3,(H,30,31)(H,25,28,29)/t19-,20+,21+/m0/s1

InChIKey

IGXUBNSHRZHJRV-PWRODBHTSA-N

Compound name

[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl tetradecyl hydrogen phosphate

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]+	523.25788	225.5
[M+Na]+	545.23982	227.5
[M-H]-	521.24332	222.4
[M+NH4]+	540.28442	227.5
[M+K]+	561.21376	224.5
[M+H-H2O]+	505.24786	213.1
[M+HCOO]-	567.24880	240.6
[M+CH3COO]-	581.26445	238.8
[M+Na-2H]-	543.22527	219.0
[M]+	522.25005	231.9
[M]-	522.25115	231.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.25788

225.5

[M+Na]+

545.23982

227.5

[M-H]-

521.24332

222.4

[M+NH4]+

540.28442

227.5

[M+K]+

561.21376

224.5

[M+H-H2O]+

505.24786

213.1

[M+HCOO]-

567.24880

240.6

[M+CH3COO]-

581.26445

238.8

[M+Na-2H]-

543.22527

219.0

[M]+

522.25005

231.9

[M]-

522.25115

231.9

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

Tei-6170

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe