CID 6918067

Tma-230

Structural Information

Molecular Formula
C16H16N2O6S
SMILES
C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)C3=CN=CC=C3)C(=O)OCOC(=O)C)O
InChI
InChI=1S/C16H16N2O6S/c1-8(19)11-14(21)18-12(16(22)24-7-23-9(2)20)13(25-15(11)18)10-4-3-5-17-6-10/h3-6,8,11,15,19H,7H2,1-2H3/t8-,11+,15-/m1/s1
InChIKey
SFIPPEJRUGDKRJ-OTDPEBBPSA-N
Compound name
acetyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

364.0729 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08018 181.3
[M+Na]+ 387.06212 185.2
[M+NH4]+ 382.10672 181.5
[M+K]+ 403.03606 184.6
[M-H]- 363.06562 177.2
[M+Na-2H]- 385.04757 179.5
[M]+ 364.07235 179.4
[M]- 364.07345 179.4
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

patents stripe