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 196.6
[M+Na]+ 450.09817 202.1
[M-H]- 426.10167 204.2
[M+NH4]+ 445.14277 207.6
[M+K]+ 466.07211 201.2
[M+H-H2O]+ 410.10621 186.5
[M+HCOO]- 472.10715 206.4
[M+CH3COO]- 486.12280 220.9
[M+Na-2H]- 448.08362 195.4
[M]+ 427.10840 209.2
[M]- 427.10950 209.2
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.