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]+ 662.468026 268.8
[M+Na]+ 684.449968 263.8
[M-H]- 660.453474 276.2
[M+NH4]+ 679.494573 262.8
[M+K]+ 700.423908 257.2
[M+H-H2O]+ 644.458010 250.9
[M+HCOO]- 706.458951 271.5
[M+CH3COO]- 720.474601 267.7
[M+Na-2H]- 682.435416 268.3
[M]+ 661.46020142 265.5
[M]- 661.46129858 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.