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]+ 444.26454 210.8
[M+Na]+ 466.24648 212.1
[M-H]- 442.24998 218.9
[M+NH4]+ 461.29108 219.5
[M+K]+ 482.22042 204.7
[M+H-H2O]+ 426.25452 198.3
[M+HCOO]- 488.25546 217.8
[M+CH3COO]- 502.27111 215.7
[M+Na-2H]- 464.23193 202.0
[M]+ 443.25671 200.9
[M]- 443.25781 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.