PubChemLite - Cefetamet pivoxil (C20H25N5O7S2)

Structural Information

Molecular Formula

SMILES

CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C20H25N5O7S2/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26)/b24-11-/t12-,16-/m1/s1

InChIKey

DASYMCLQENWCJG-XUKDPADISA-N

Compound name

2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-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]+	512.12682	218.5
[M+Na]+	534.10876	215.8
[M-H]-	510.11226	220.9
[M+NH4]+	529.15336	217.1
[M+K]+	550.08270	218.4
[M+H-H2O]+	494.11680	202.9
[M+HCOO]-	556.11774	222.3
[M+CH3COO]-	570.13339	249.0
[M+Na-2H]-	532.09421	214.2
[M]+	511.11899	232.1
[M]-	511.12009	232.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.12682

218.5

[M+Na]+

534.10876

215.8

[M-H]-

510.11226

220.9

[M+NH4]+

529.15336

217.1

[M+K]+

550.08270

218.4

[M+H-H2O]+

494.11680

202.9

[M+HCOO]-

556.11774

222.3

[M+CH3COO]-

570.13339

249.0

[M+Na-2H]-

532.09421

214.2

[M]+

511.11899

232.1

[M]-

511.12009

232.1

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

Cefetamet pivoxil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe