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 261.0
[M+Na]+ 656.41866 257.0
[M-H]- 632.42216 268.8
[M+NH4]+ 651.46326 256.2
[M+K]+ 672.39260 250.7
[M+H-H2O]+ 616.42670 243.5
[M+HCOO]- 678.42764 264.4
[M+CH3COO]- 692.44329 260.7
[M+Na-2H]- 654.40411 261.5
[M]+ 633.42889 257.2
[M]- 633.42999 257.2
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.