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

4
Patents

439.27225 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.27953 212.1
[M+Na]+ 462.26147 213.5
[M-H]- 438.26497 218.5
[M+NH4]+ 457.30607 222.1
[M+K]+ 478.23541 210.4
[M+H-H2O]+ 422.26951 201.2
[M+HCOO]- 484.27045 230.0
[M+CH3COO]- 498.28610 238.2
[M+Na-2H]- 460.24692 210.7
[M]+ 439.27170 217.1
[M]- 439.27280 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