CID 77846445

Zidebactam

Structural Information

Molecular Formula
C13H21N5O7S
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

compound 2d structure
2
Annotation Hits

52
References

187
Patents

391.11618 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12346 179.4
[M+Na]+ 414.10540 180.5
[M+NH4]+ 409.15000 180.8
[M+K]+ 430.07934 181.8
[M-H]- 390.10890 174.8
[M+Na-2H]- 412.09085 176.1
[M]+ 391.11563 177.4
[M]- 391.11673 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe