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
7
Annotation Hits

3198
References

17834
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 159.4
[M+Na]+ 323.04205 168.1
[M-H]- 299.04555 161.5
[M+NH4]+ 318.08665 170.8
[M+K]+ 339.01599 168.8
[M+H-H2O]+ 283.05009 149.9
[M+HCOO]- 345.05103 170.5
[M+CH3COO]- 359.06668 198.4
[M+Na-2H]- 321.02750 159.4
[M]+ 300.05228 172.7
[M]- 300.05338 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.