CID 979406

2,7-bis(pyrrolidin-1-ylsulfonyl)-9h-fluoren-9-one

Structural Information

Molecular Formula
C21H22N2O5S2
SMILES
C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)S(=O)(=O)N5CCCC5
InChI
InChI=1S/C21H22N2O5S2/c24-21-19-13-15(29(25,26)22-9-1-2-10-22)5-7-17(19)18-8-6-16(14-20(18)21)30(27,28)23-11-3-4-12-23/h5-8,13-14H,1-4,9-12H2
InChIKey
JHPHGYFNEYWXJU-UHFFFAOYSA-N
Compound name
2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

446.09702 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.10430 199.9
[M+Na]+ 469.08624 208.2
[M+NH4]+ 464.13084 206.1
[M+K]+ 485.06018 205.5
[M-H]- 445.08974 201.6
[M+Na-2H]- 467.07169 202.9
[M]+ 446.09647 202.3
[M]- 446.09757 202.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.