CID 123630

Tazobactam

Structural Information

Molecular Formula
C10H12N4O5S
SMILES
C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3
InChI
InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
InChIKey
LPQZKKCYTLCDGQ-WEDXCCLWSA-N
Compound name
(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3160
References

17398
Patents

300.05283 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06011 164.8
[M+Na]+ 323.04205 168.2
[M+NH4]+ 318.08665 167.4
[M+K]+ 339.01599 166.3
[M-H]- 299.04555 159.0
[M+Na-2H]- 321.02750 165.1
[M]+ 300.05228 162.6
[M]- 300.05338 162.6
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