CID 214488

Pyrrolidine, 1,1'-(delta,delta'-nitriloditetramethylene)bis(gamma-isopropyl-gamma-(1-naphthyl)-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

601.4396 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.44688 255.9
[M+Na]+ 624.42882 266.8
[M+NH4]+ 619.47342 263.0
[M+K]+ 640.40276 259.7
[M-H]- 600.43232 263.8
[M+Na-2H]- 622.41427 263.1
[M]+ 601.43905 259.9
[M]- 601.44015 259.9
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.