CID 214487

33310-54-2

Structural Information

Molecular Formula
C42H55N3
SMILES
CCCC(CCN1CCCC1)(CN=CC(CCC)(CCN2CCCC2)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C42H55N3/c1-3-23-41(25-31-44-27-9-10-28-44,39-21-13-17-35-15-5-7-19-37(35)39)33-43-34-42(24-4-2,26-32-45-29-11-12-30-45)40-22-14-18-36-16-6-8-20-38(36)40/h5-8,13-22,33H,3-4,9-12,23-32,34H2,1-2H3
InChIKey
ONNYBXRXLHZYQS-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-N-[2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)pentyl]-2-(2-pyrrolidin-1-ylethyl)pentan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

601.4396 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.44688 259.0
[M+Na]+ 624.42882 270.6
[M+NH4]+ 619.47342 266.2
[M+K]+ 640.40276 261.8
[M-H]- 600.43232 267.2
[M+Na-2H]- 622.41427 266.5
[M]+ 601.43905 263.2
[M]- 601.44015 263.2
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.