CID 9835049

Avibactam

Structural Information

Molecular Formula
C7H11N3O6S
SMILES
C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N
InChI
InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1
InChIKey
NDCUAPJVLWFHHB-UHNVWZDZSA-N
Compound name
[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

531
References

2436
Patents

265.03687 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04415 152.2
[M+Na]+ 288.02609 159.4
[M-H]- 264.02959 150.5
[M+NH4]+ 283.07069 168.4
[M+K]+ 304.00003 158.1
[M+H-H2O]+ 248.03413 147.6
[M+HCOO]- 310.03507 162.3
[M+CH3COO]- 324.05072 191.3
[M+Na-2H]- 286.01154 154.8
[M]+ 265.03632 153.2
[M]- 265.03742 153.2
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