CID 11751671

Tazobactam diphenylmethyl ester

Structural Information

Molecular Formula
C23H22N4O5S
SMILES
C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CN5C=CN=N5
InChI
InChI=1S/C23H22N4O5S/c1-23(15-26-13-12-24-25-26)21(27-18(28)14-19(27)33(23,30)31)22(29)32-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,19-21H,14-15H2,1H3/t19-,21+,23+/m1/s1
InChIKey
PHGXFQIAGFMIHJ-NWSQWKLXSA-N
Compound name
benzhydryl (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

466.1311 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.13838 199.0
[M+Na]+ 489.12032 205.9
[M+NH4]+ 484.16492 202.2
[M+K]+ 505.09426 201.3
[M-H]- 465.12382 198.8
[M+Na-2H]- 487.10577 205.1
[M]+ 466.13055 199.2
[M]- 466.13165 199.2
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