PubChemLite - 33366-63-1 (C44H65N5)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	664.53128	278.6
[M+Na]+	686.51322	274.0
[M-H]-	662.51672	288.2
[M+NH4]+	681.55782	280.9
[M+K]+	702.48716	270.5
[M+H-H2O]+	646.52126	263.5
[M+HCOO]-	708.52220	297.5
[M+CH3COO]-	722.53785	304.1
[M+Na-2H]-	684.49867	278.5
[M]+	663.52345	287.6
[M]-	663.52455	287.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

664.53128

278.6

[M+Na]+

686.51322

274.0

[M-H]-

662.51672

288.2

[M+NH4]+

681.55782

280.9

[M+K]+

702.48716

270.5

[M+H-H2O]+

646.52126

263.5

[M+HCOO]-

708.52220

297.5

[M+CH3COO]-

722.53785

304.1

[M+Na-2H]-

684.49867

278.5

[M]+

663.52345

287.6

[M]-

663.52455

287.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

33366-63-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe