CID 214494

33310-67-7

Structural Information

Molecular Formula
C44H59N3O2
SMILES
CCCCC(CCN1CCOCC1)(CN=CC(CCCC)(CCN2CCOCC2)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C44H59N3O2/c1-3-5-21-43(23-25-46-27-31-48-32-28-46,41-19-11-15-37-13-7-9-17-39(37)41)35-45-36-44(22-6-4-2,24-26-47-29-33-49-34-30-47)42-20-12-16-38-14-8-10-18-40(38)42/h7-20,35H,3-6,21-34,36H2,1-2H3
InChIKey
SGQYPKLRDQUWTI-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethyl)-N-[2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylhexyl]-2-naphthalen-1-ylhexan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

661.46075 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.46803 268.8
[M+Na]+ 684.44997 263.8
[M-H]- 660.45347 276.2
[M+NH4]+ 679.49457 262.8
[M+K]+ 700.42391 257.2
[M+H-H2O]+ 644.45801 250.9
[M+HCOO]- 706.45895 271.5
[M+CH3COO]- 720.47460 267.7
[M+Na-2H]- 682.43542 268.3
[M]+ 661.46020 265.5
[M]- 661.46130 265.5
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.