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 199.4
[M+Na]+ 475.09344 202.0
[M-H]- 451.09694 203.3
[M+NH4]+ 470.13804 203.2
[M+K]+ 491.06738 201.5
[M+H-H2O]+ 435.10148 185.9
[M+HCOO]- 497.10242 206.6
[M+CH3COO]- 511.11807 232.1
[M+Na-2H]- 473.07889 198.2
[M]+ 452.10367 211.1
[M]- 452.10477 211.1
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.