CID 202372

10256-00-5

Structural Information

Molecular Formula

C₁₅H₂₆N₂O₂

SMILES

C1CCC(CC1)NC(=O)CC(=O)NC2CCCCC2

InChI

InChI=1S/C15H26N2O2/c18-14(16-12-7-3-1-4-8-12)11-15(19)17-13-9-5-2-6-10-13/h12-13H,1-11H2,(H,16,18)(H,17,19)

InChIKey

LLWDZKXTXQFQKQ-UHFFFAOYSA-N

Compound name

N,N'-dicyclohexylpropanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 266.19943 Da
Monoisotopic Mass: 3.7
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]+	267.206706	164.9
[M+Na]+	289.188648	163.1
[M-H]-	265.192154	168.6
[M+NH4]+	284.233253	179.4
[M+K]+	305.162588	161.1
[M+H-H2O]+	249.196690	156.7
[M+HCOO]-	311.197631	181.0
[M+CH3COO]-	325.213281	200.1
[M+Na-2H]-	287.174096	164.8
[M]+	266.19888142	154.3
[M]-	266.19997858	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe