CID 145867624

2361573-80-8

Structural Information

Molecular Formula
C23H20N2O6S
SMILES
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O)CO
InChI
InChI=1S/C23H20N2O6S/c26-9-12-11-32-21-18(20(27)25(21)19(12)22(28)29)24-23(30)31-10-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18,21,26H,9-11H2,(H,24,30)(H,28,29)/t18-,21-/m1/s1
InChIKey
ZVAMIKJIXNQKCH-WIYYLYMNSA-N
Compound name
(6R,7R)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.10422 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.11150 201.8
[M+Na]+ 475.09344 206.8
[M+NH4]+ 470.13804 203.5
[M+K]+ 491.06738 203.8
[M-H]- 451.09694 200.6
[M+Na-2H]- 473.07889 200.3
[M]+ 452.10367 201.1
[M]- 452.10477 201.1
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.