CID 214492

Brn 1202464

Structural Information

Molecular Formula
C42H55N3O2
SMILES
CCCC(CCN1CCOCC1)(CN=CC(CCC)(CCN2CCOCC2)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C42H55N3O2/c1-3-19-41(21-23-44-25-29-46-30-26-44,39-17-9-13-35-11-5-7-15-37(35)39)33-43-34-42(20-4-2,22-24-45-27-31-47-32-28-45)40-18-10-14-36-12-6-8-16-38(36)40/h5-18,33H,3-4,19-32,34H2,1-2H3
InChIKey
WCSWREHFRDFFOM-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethyl)-N-[2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentyl]-2-naphthalen-1-ylpentan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

633.42944 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.43672 266.9
[M+Na]+ 656.41866 280.3
[M+NH4]+ 651.46326 272.9
[M+K]+ 672.39260 268.4
[M-H]- 632.42216 277.8
[M+Na-2H]- 654.40411 273.8
[M]+ 633.42889 272.2
[M]- 633.42999 272.2
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.