CID 454659

1-methyl-4-[[2-methyl-9-[(1-methyl-4-piperidyl)methyl]fluoren-9-yl]methyl]piperidine

Structural Information

Molecular Formula
C28H38N2
SMILES
CC1=CC2=C(C=C1)C3=CC=CC=C3C2(CC4CCN(CC4)C)CC5CCN(CC5)C
InChI
InChI=1S/C28H38N2/c1-21-8-9-25-24-6-4-5-7-26(24)28(27(25)18-21,19-22-10-14-29(2)15-11-22)20-23-12-16-30(3)17-13-23/h4-9,18,22-23H,10-17,19-20H2,1-3H3
InChIKey
SUIIVORFDIOROD-UHFFFAOYSA-N
Compound name
1-methyl-4-[[2-methyl-9-[(1-methylpiperidin-4-yl)methyl]fluoren-9-yl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.3035 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.31078 207.0
[M+Na]+ 425.29272 210.7
[M-H]- 401.29622 213.5
[M+NH4]+ 420.33732 220.3
[M+K]+ 441.26666 202.4
[M+H-H2O]+ 385.30076 194.5
[M+HCOO]- 447.30170 216.4
[M+CH3COO]- 461.31735 213.4
[M+Na-2H]- 423.27817 203.0
[M]+ 402.30295 200.3
[M]- 402.30405 200.3
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.