CID 99080

33310-62-2

Structural Information

Molecular Formula
C46H63N3
SMILES
CCCCC(CCN1CCCCC1)(CN=CC(CCCC)(CCN2CCCCC2)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C46H63N3/c1-3-5-27-45(29-35-48-31-13-7-14-32-48,43-25-17-21-39-19-9-11-23-41(39)43)37-47-38-46(28-6-4-2,30-36-49-33-15-8-16-34-49)44-26-18-22-40-20-10-12-24-42(40)44/h9-12,17-26,37H,3-8,13-16,27-36,38H2,1-2H3
InChIKey
ZFWIMSRPMRRWDY-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-N-[2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)hexyl]-2-(2-piperidin-1-ylethyl)hexan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

657.5022 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 658.50948 270.0
[M+Na]+ 680.49142 263.7
[M-H]- 656.49492 275.4
[M+NH4]+ 675.53602 266.7
[M+K]+ 696.46536 252.8
[M+H-H2O]+ 640.49946 251.5
[M+HCOO]- 702.50040 273.3
[M+CH3COO]- 716.51605 267.9
[M+Na-2H]- 678.47687 267.7
[M]+ 657.50165 263.4
[M]- 657.50275 263.4
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.