CID 132350986

2138194-65-5

Structural Information

Molecular Formula
C22H21NO6S
SMILES
C1C(C2(CN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CS1(=O)=O)C(=O)O
InChI
InChI=1S/C22H21NO6S/c24-20(25)19-10-30(27,28)13-22(19)11-23(12-22)21(26)29-9-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-13H2,(H,24,25)
InChIKey
JJRDFKRMFRCTIO-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dioxo-6lambda6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.10895 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.11623 194.2
[M+Na]+ 450.09817 198.7
[M+NH4]+ 445.14277 199.0
[M+K]+ 466.07211 194.1
[M-H]- 426.10167 192.7
[M+Na-2H]- 448.08362 196.4
[M]+ 427.10840 193.7
[M]- 427.10950 193.7
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.