CID 98860

33366-63-1

Structural Information

Molecular Formula
C44H65N5
SMILES
CCN(C)CCC(CCN(C)CC)(CN=CC(CCN(C)CC)(CCN(C)CC)C1=CC=CC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C44H65N5/c1-9-46(5)31-27-43(28-32-47(6)10-2,41-25-17-21-37-19-13-15-23-39(37)41)35-45-36-44(29-33-48(7)11-3,30-34-49(8)12-4)42-26-18-22-38-20-14-16-24-40(38)42/h13-26,35H,9-12,27-34,36H2,1-8H3
InChIKey
ZVQBJBSDEIQKIF-UHFFFAOYSA-N
Compound name
N,N'-diethyl-3-[[[4-[ethyl(methyl)amino]-2-[2-[ethyl(methyl)amino]ethyl]-2-naphthalen-1-ylbutylidene]amino]methyl]-N,N'-dimethyl-3-naphthalen-1-ylpentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

663.524 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.53128 279.8
[M+Na]+ 686.51322 288.7
[M+NH4]+ 681.55782 285.4
[M+K]+ 702.48716 277.3
[M-H]- 662.51672 288.3
[M+Na-2H]- 684.49867 286.4
[M]+ 663.52345 283.7
[M]- 663.52455 283.7
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.