CID 36406

1-naphthalenepropylamine, gamma,gamma'-nitrilodimethylenebis(n-benzyl-gamma-isopropyl-n-methyl-

Structural Information

Molecular Formula
C50H59N3
SMILES
CC(C)C(CCN(C)CC1=CC=CC=C1)(CN=CC(CCN(C)CC2=CC=CC=C2)(C3=CC=CC4=CC=CC=C43)C(C)C)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C50H59N3/c1-39(2)49(31-33-52(5)35-41-19-9-7-10-20-41,47-29-17-25-43-23-13-15-27-45(43)47)37-51-38-50(40(3)4,32-34-53(6)36-42-21-11-8-12-22-42)48-30-18-26-44-24-14-16-28-46(44)48/h7-30,37,39-40H,31-36,38H2,1-6H3
InChIKey
OJZAGQDFYGZWFX-UHFFFAOYSA-N
Compound name
N-benzyl-3-[[[2-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-naphthalen-1-ylbutylidene]amino]methyl]-N,4-dimethyl-3-naphthalen-1-ylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

701.4709 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 702.47818 280.6
[M+Na]+ 724.46012 275.9
[M-H]- 700.46362 292.4
[M+NH4]+ 719.50472 278.7
[M+K]+ 740.43406 269.1
[M+H-H2O]+ 684.46816 263.5
[M+HCOO]- 746.46910 293.9
[M+CH3COO]- 760.48475 296.2
[M+Na-2H]- 722.44557 280.0
[M]+ 701.47035 282.6
[M]- 701.47145 282.6
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.