CID 65894

Faropenem

Structural Information

Molecular Formula
C12H15NO5S
SMILES
C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O
InChI
InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1
InChIKey
HGGAKXAHAYOLDJ-FHZUQPTBSA-N
Compound name
(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

213
References

5404
Patents

285.0671 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07438 162.3
[M+Na]+ 308.05632 164.1
[M+NH4]+ 303.10092 164.1
[M+K]+ 324.03026 166.2
[M-H]- 284.05982 159.6
[M+Na-2H]- 306.04177 158.2
[M]+ 285.06655 160.5
[M]- 285.06765 160.5
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