CID 208576

Brn 1175099

Structural Information

Molecular Formula

C₂₄H₃₂N₂O₃

SMILES

C1COCCN1CCC(CCN2CCOCC2)(C=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H32N2O3/c27-20-24(8-10-25-12-16-28-17-13-25,9-11-26-14-18-29-19-15-26)23-7-3-5-21-4-1-2-6-22(21)23/h1-7,20H,8-19H2

InChIKey

RSKJZLCBMUJKLC-UHFFFAOYSA-N

Compound name

4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 396.2413 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

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]+	397.248576	198.4
[M+Na]+	419.230518	198.5
[M-H]-	395.234024	204.0
[M+NH4]+	414.275123	203.2
[M+K]+	435.204458	195.6
[M+H-H2O]+	379.238560	186.0
[M+HCOO]-	441.239501	206.1
[M+CH3COO]-	455.255151	204.0
[M+Na-2H]-	417.215966	201.5
[M]+	396.24075142	193.5
[M]-	396.24184858	193.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.