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 256.1
[M+Na]+ 624.42882 253.8
[M-H]- 600.43232 265.1
[M+NH4]+ 619.47342 259.9
[M+K]+ 640.40276 244.0
[M+H-H2O]+ 584.43686 242.0
[M+HCOO]- 646.43780 266.1
[M+CH3COO]- 660.45345 258.0
[M+Na-2H]- 622.41427 251.7
[M]+ 601.43905 254.0
[M]- 601.44015 254.0
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.