CID 3030835

Feclemine

Structural Information

Molecular Formula

C₂₄H₄₂N₂

SMILES

CCN(CC)CC(CN(CC)CC)C(C1CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C24H42N2/c1-5-25(6-2)19-23(20-26(7-3)8-4)24(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9,11-12,15-16,22-24H,5-8,10,13-14,17-20H2,1-4H3

InChIKey

QDMORDTWFMWOFA-UHFFFAOYSA-N

Compound name

2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 556
Patents: 358.3348 Da
Monoisotopic Mass: 6.5
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]+	359.342076	198.1
[M+Na]+	381.324018	195.1
[M-H]-	357.327524	203.9
[M+NH4]+	376.368623	210.3
[M+K]+	397.297958	193.1
[M+H-H2O]+	341.332060	187.8
[M+HCOO]-	403.333001	215.5
[M+CH3COO]-	417.348651	231.2
[M+Na-2H]-	379.309466	194.3
[M]+	358.33425142	196.0
[M]-	358.33534858	196.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe