CID 155859109

N-methyl-2-(methylamino)-n-[2-(methylcarbamoyl)ethyl]pentanamide hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₃N₃O₂

SMILES

CCCC(C(=O)N(C)CCC(=O)NC)NC

InChI

InChI=1S/C11H23N3O2/c1-5-6-9(12-2)11(16)14(4)8-7-10(15)13-3/h9,12H,5-8H2,1-4H3,(H,13,15)

InChIKey

JEAQMRRKEUNJSI-UHFFFAOYSA-N

Compound name

N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.17903 Da
Monoisotopic Mass: -0.1
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]+	230.186306	159.1
[M+Na]+	252.168248	161.8
[M-H]-	228.171754	160.1
[M+NH4]+	247.212853	176.7
[M+K]+	268.142188	162.9
[M+H-H2O]+	212.176290	152.1
[M+HCOO]-	274.177231	182.7
[M+CH3COO]-	288.192881	204.0
[M+Na-2H]-	250.153696	159.5
[M]+	229.17848142	160.4
[M]-	229.17957858	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.