CID 3053327

N-aethyl-n-(6-(3,4-dimethoxybenzoyloxy)hexyl)-1,2,3,4-tetrahydro-2-naphthylamin-hydrochlorid

Structural Information

Molecular Formula
C27H37NO4
SMILES
CCN(CCCCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C2CCC3=CC=CC=C3C2
InChI
InChI=1S/C27H37NO4/c1-4-28(24-15-13-21-11-7-8-12-22(21)19-24)17-9-5-6-10-18-32-27(29)23-14-16-25(30-2)26(20-23)31-3/h7-8,11-12,14,16,20,24H,4-6,9-10,13,15,17-19H2,1-3H3
InChIKey
PMVOPWZKALHBOU-UHFFFAOYSA-N
Compound name
6-[ethyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexyl 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

439.27225 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.279526 212.1
[M+Na]+ 462.261468 213.5
[M-H]- 438.264974 218.5
[M+NH4]+ 457.306073 222.1
[M+K]+ 478.235408 210.4
[M+H-H2O]+ 422.269510 201.2
[M+HCOO]- 484.270451 230.0
[M+CH3COO]- 498.286101 238.2
[M+Na-2H]- 460.246916 210.7
[M]+ 439.27170142 217.1
[M]- 439.27279858 217.1
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

patents stripe