PubChemLite - Zidebactam (C13H21N5O7S)

Structural Information

Molecular Formula

SMILES

C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O

InChI

InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/m1/s1

InChIKey

YCZPXRQPDCXTIO-BBBLOLIVSA-N

Compound name

[(2S,5R)-7-oxo-2-[[[(3R)-piperidine-3-carbonyl]amino]carbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

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]+	392.12346	180.3
[M+Na]+	414.10540	181.5
[M-H]-	390.10890	178.0
[M+NH4]+	409.15000	188.5
[M+K]+	430.07934	179.8
[M+H-H2O]+	374.11344	174.2
[M+HCOO]-	436.11438	184.1
[M+CH3COO]-	450.13003	214.3
[M+Na-2H]-	412.09085	181.8
[M]+	391.11563	176.0
[M]-	391.11673	176.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

392.12346

180.3

[M+Na]+

414.10540

181.5

[M-H]-

390.10890

178.0

[M+NH4]+

409.15000

188.5

[M+K]+

430.07934

179.8

[M+H-H2O]+

374.11344

174.2

[M+HCOO]-

436.11438

184.1

[M+CH3COO]-

450.13003

214.3

[M+Na-2H]-

412.09085

181.8

[M]+

391.11563

176.0

[M]-

391.11673

176.0

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

Zidebactam

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe