PubChemLite - Cefteram pivoxil (C22H27N9O7S2)

Structural Information

Molecular Formula

SMILES

CC1=NN(N=N1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C22H27N9O7S2/c1-10-26-29-30(27-10)6-11-7-39-18-14(25-16(32)13(28-36-5)12-8-40-21(23)24-12)17(33)31(18)15(11)19(34)37-9-38-20(35)22(2,3)4/h8,14,18H,6-7,9H2,1-5H3,(H2,23,24)(H,25,32)/b28-13-/t14-,18-/m1/s1

InChIKey

UIYAXIPXULMHAI-JLGRZTKVSA-N

Compound name

2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)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]+	594.15474	235.0
[M+Na]+	616.13668	234.4
[M-H]-	592.14018	238.4
[M+NH4]+	611.18128	228.0
[M+K]+	632.11062	236.5
[M+H-H2O]+	576.14472	220.2
[M+HCOO]-	638.14566	237.9
[M+CH3COO]-	652.16131	261.1
[M+Na-2H]-	614.12213	230.6
[M]+	593.14691	250.8
[M]-	593.14801	250.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

594.15474

235.0

[M+Na]+

616.13668

234.4

[M-H]-

592.14018

238.4

[M+NH4]+

611.18128

228.0

[M+K]+

632.11062

236.5

[M+H-H2O]+

576.14472

220.2

[M+HCOO]-

638.14566

237.9

[M+CH3COO]-

652.16131

261.1

[M+Na-2H]-

614.12213

230.6

[M]+

593.14691

250.8

[M]-

593.14801

250.8

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

Cefteram pivoxil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe