CID 54807

4,9-dioxo-5,10-diazatetradecane

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CCCCNC(=O)CCCNC(=O)CCC

InChI

InChI=1S/C12H24N2O2/c1-3-5-9-13-12(16)8-6-10-14-11(15)7-4-2/h3-10H2,1-2H3,(H,13,16)(H,14,15)

InChIKey

XINVHMDEILNBAV-UHFFFAOYSA-N

Compound name

4-(butanoylamino)-N-butylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 228.18378 Da
Monoisotopic Mass: 1.2
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]+	229.19106	158.0
[M+Na]+	251.17300	164.2
[M+NH4]+	246.21760	163.4
[M+K]+	267.14694	159.1
[M-H]-	227.17650	156.8
[M+Na-2H]-	249.15845	159.0
[M]+	228.18323	158.0
[M]-	228.18433	158.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.