PubChemLite - Cefuroxime pivoxetil (C23H28N4O11S)

Structural Information

Molecular Formula

SMILES

CC(OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CC=CO3)COC(=O)N)OC(=O)C(C)(C)OC

InChI

InChI=1S/C23H28N4O11S/c1-11(38-21(31)23(2,3)33-4)37-20(30)16-12(9-36-22(24)32)10-39-19-15(18(29)27(16)19)25-17(28)14(26-34-5)13-7-6-8-35-13/h6-8,11,15,19H,9-10H2,1-5H3,(H2,24,32)(H,25,28)/b26-14-/t11?,15-,19-/m1/s1

InChIKey

MGYPWVCKENORQX-KMMUMHRISA-N

Compound name

1-(2-methoxy-2-methylpropanoyl)oxyethyl (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-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]+	569.15478	229.6
[M+Na]+	591.13672	223.8
[M-H]-	567.14022	234.1
[M+NH4]+	586.18132	224.7
[M+K]+	607.11066	232.6
[M+H-H2O]+	551.14476	213.9
[M+HCOO]-	613.14570	237.3
[M+CH3COO]-	627.16135	260.9
[M+Na-2H]-	589.12217	225.2
[M]+	568.14695	246.5
[M]-	568.14805	246.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.15478

229.6

[M+Na]+

591.13672

223.8

[M-H]-

567.14022

234.1

[M+NH4]+

586.18132

224.7

[M+K]+

607.11066

232.6

[M+H-H2O]+

551.14476

213.9

[M+HCOO]-

613.14570

237.3

[M+CH3COO]-

627.16135

260.9

[M+Na-2H]-

589.12217

225.2

[M]+

568.14695

246.5

[M]-

568.14805

246.5

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

Cefuroxime pivoxetil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe