PubChemLite - Cefpodoxime (C15H17N5O6S2)

Structural Information

Molecular Formula

SMILES

COCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O

InChI

InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1

InChIKey

WYUSVOMTXWRGEK-HBWVYFAYSA-N

Compound name

(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-carboxylic acid

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]+	428.06928	191.9
[M+Na]+	450.05122	191.6
[M-H]-	426.05472	193.8
[M+NH4]+	445.09582	193.4
[M+K]+	466.02516	192.6
[M+H-H2O]+	410.05926	176.4
[M+HCOO]-	472.06020	198.1
[M+CH3COO]-	486.07585	232.5
[M+Na-2H]-	448.03667	188.2
[M]+	427.06145	203.0
[M]-	427.06255	203.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

428.06928

191.9

[M+Na]+

450.05122

191.6

[M-H]-

426.05472

193.8

[M+NH4]+

445.09582

193.4

[M+K]+

466.02516

192.6

[M+H-H2O]+

410.05926

176.4

[M+HCOO]-

472.06020

198.1

[M+CH3COO]-

486.07585

232.5

[M+Na-2H]-

448.03667

188.2

[M]+

427.06145

203.0

[M]-

427.06255

203.0

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

Cefpodoxime

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe