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 209.2
[M+Na]+ 469.08624 218.0
[M-H]- 445.08974 218.8
[M+NH4]+ 464.13084 223.9
[M+K]+ 485.06018 214.1
[M+H-H2O]+ 429.09428 206.3
[M+HCOO]- 491.09522 216.1
[M+CH3COO]- 505.11087 218.2
[M+Na-2H]- 467.07169 207.4
[M]+ 446.09647 213.0
[M]- 446.09757 213.0
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.