CID 9820843

301827-70-3

Structural Information

Molecular Formula

C₂₀H₄₀N₂O₄

SMILES

COCCCNC(=O)CCCCCCCCCCC(=O)NCCCOC

InChI

InChI=1S/C20H40N2O4/c1-25-17-11-15-21-19(23)13-9-7-5-3-4-6-8-10-14-20(24)22-16-12-18-26-2/h3-18H2,1-2H3,(H,21,23)(H,22,24)

InChIKey

HXURVTIGRDPYJY-UHFFFAOYSA-N

Compound name

N,N'-bis(3-methoxypropyl)dodecanediamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 37
Patents: 372.2988 Da
Monoisotopic Mass: 3.1
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]+	373.306076	198.8
[M+Na]+	395.288018	198.4
[M-H]-	371.291524	196.4
[M+NH4]+	390.332623	217.4
[M+K]+	411.261958	196.4
[M+H-H2O]+	355.296060	190.2
[M+HCOO]-	417.297001	224.7
[M+CH3COO]-	431.312651	225.5
[M+Na-2H]-	393.273466	196.7
[M]+	372.29825142	206.6
[M]-	372.29934858	206.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe