CID 99697

33366-65-3

Structural Information

Molecular Formula
C44H59N3O2
SMILES
CCC(C)C(CCN1CCOCC1)(CN=CC(CCN2CCOCC2)(C3=CC4=CC=CC=C4C=C3)C(C)CC)C5=CC6=CC=CC=C6C=C5
InChI
InChI=1S/C44H59N3O2/c1-5-35(3)43(19-21-46-23-27-48-28-24-46,41-17-15-37-11-7-9-13-39(37)31-41)33-45-34-44(36(4)6-2,20-22-47-25-29-49-30-26-47)42-18-16-38-12-8-10-14-40(38)32-42/h7-18,31-33,35-36H,5-6,19-30,34H2,1-4H3
InChIKey
PLVXCXQDUWETGC-UHFFFAOYSA-N
Compound name
3-methyl-N-[3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-2-ylpentyl]-2-(2-morpholin-4-ylethyl)-2-naphthalen-2-ylpentan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

661.46075 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.46803 272.0
[M+Na]+ 684.44997 284.2
[M+NH4]+ 679.49457 277.4
[M+K]+ 700.42391 273.7
[M-H]- 660.45347 282.5
[M+Na-2H]- 682.43542 278.0
[M]+ 661.46020 277.0
[M]- 661.46130 277.0
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.