CID 16077271

Chembl387074

Structural Information

Molecular Formula
C28H33N3O2
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C28H33N3O2/c32-26-18-20(19-31(26)21-8-2-1-3-9-21)28(33)30-16-14-29(15-17-30)27-24-12-6-4-10-22(24)23-11-5-7-13-25(23)27/h4-7,10-13,20-21,27H,1-3,8-9,14-19H2
InChIKey
FKGIOHPOLSTVMZ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-[4-(9H-fluoren-9-yl)piperazine-1-carbonyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

443.25726 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.264536 210.8
[M+Na]+ 466.246478 212.1
[M-H]- 442.249984 218.9
[M+NH4]+ 461.291083 219.5
[M+K]+ 482.220418 204.7
[M+H-H2O]+ 426.254520 198.3
[M+HCOO]- 488.255461 217.8
[M+CH3COO]- 502.271111 215.7
[M+Na-2H]- 464.231926 202.0
[M]+ 443.25671142 200.9
[M]- 443.25780858 200.9
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.