CID 6526396

Cefpodoxime proxetil

Structural Information

Molecular Formula
C21H27N5O9S2
SMILES
CC(C)OC(=O)OC(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)COC
InChI
InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1
InChIKey
LTINZAODLRIQIX-FBXRGJNPSA-N
Compound name
1-propan-2-yloxycarbonyloxyethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

247
References

11362
Patents

557.125 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.13228 225.1
[M+Na]+ 580.11422 219.7
[M-H]- 556.11772 226.9
[M+NH4]+ 575.15882 221.1
[M+K]+ 596.08816 224.5
[M+H-H2O]+ 540.12226 208.7
[M+HCOO]- 602.12320 228.2
[M+CH3COO]- 616.13885 257.4
[M+Na-2H]- 578.09967 218.5
[M]+ 557.12445 240.8
[M]- 557.12555 240.8
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.