PubChemLite - Cefpodoxime proxetil (C21H27N5O9S2)

Structural Information

Molecular Formula

SMILES

CC(C)OC(=O)OC(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)COC

InChI

InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1

InChIKey

LTINZAODLRIQIX-FBXRGJNPSA-N

Compound name

1-propan-2-yloxycarbonyloxyethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

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]+	558.13228	225.1
[M+Na]+	580.11422	219.7
[M-H]-	556.11772	226.9
[M+NH4]+	575.15882	221.1
[M+K]+	596.08816	224.5
[M+H-H2O]+	540.12226	208.7
[M+HCOO]-	602.12320	228.2
[M+CH3COO]-	616.13885	257.4
[M+Na-2H]-	578.09967	218.5
[M]+	557.12445	240.8
[M]-	557.12555	240.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

558.13228

225.1

[M+Na]+

580.11422

219.7

[M-H]-

556.11772

226.9

[M+NH4]+

575.15882

221.1

[M+K]+

596.08816

224.5

[M+H-H2O]+

540.12226

208.7

[M+HCOO]-

602.12320

228.2

[M+CH3COO]-

616.13885

257.4

[M+Na-2H]-

578.09967

218.5

[M]+

557.12445

240.8

[M]-

557.12555

240.8

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

Cefpodoxime proxetil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe