CID 454658

4,4'-[(9h-fluorene-9,9-diylbis(methylene))]-bis(1-methyl)piperidine

Structural Information

Molecular Formula
C27H36N2
SMILES
CN1CCC(CC1)CC2(C3=CC=CC=C3C4=CC=CC=C42)CC5CCN(CC5)C
InChI
InChI=1S/C27H36N2/c1-28-15-11-21(12-16-28)19-27(20-22-13-17-29(2)18-14-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-10,21-22H,11-20H2,1-2H3
InChIKey
WMCXPGWUHNGNOE-UHFFFAOYSA-N
Compound name
1-methyl-4-[[9-[(1-methylpiperidin-4-yl)methyl]fluoren-9-yl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.28784 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.29512 202.3
[M+Na]+ 411.27706 205.5
[M-H]- 387.28056 208.5
[M+NH4]+ 406.32166 215.8
[M+K]+ 427.25100 197.4
[M+H-H2O]+ 371.28510 189.6
[M+HCOO]- 433.28604 212.1
[M+CH3COO]- 447.30169 208.7
[M+Na-2H]- 409.26251 199.4
[M]+ 388.28729 194.9
[M]- 388.28839 194.9
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.