CID 379849

Nsc664982

Structural Information

Molecular Formula
C48H62N4O2
SMILES
C1CN(CCC1(CNC(=O)CCCCCCCCC(=O)NCC2(CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6
InChI
InChI=1S/C48H62N4O2/c53-45(49-39-47(43-23-13-7-14-24-43)29-33-51(34-30-47)37-41-19-9-5-10-20-41)27-17-3-1-2-4-18-28-46(54)50-40-48(44-25-15-8-16-26-44)31-35-52(36-32-48)38-42-21-11-6-12-22-42/h5-16,19-26H,1-4,17-18,27-40H2,(H,49,53)(H,50,54)
InChIKey
FUDUFMBSHCTWFC-UHFFFAOYSA-N
Compound name
N,N'-bis[(1-benzyl-4-phenylpiperidin-4-yl)methyl]decanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

726.4873 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 727.49458 276.5
[M+Na]+ 749.47652 268.1
[M-H]- 725.48002 284.7
[M+NH4]+ 744.52112 270.3
[M+K]+ 765.45046 259.5
[M+H-H2O]+ 709.48456 256.4
[M+HCOO]- 771.48550 282.6
[M+CH3COO]- 785.50115 273.2
[M+Na-2H]- 747.46197 271.0
[M]+ 726.48675 267.2
[M]- 726.48785 267.2
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.