CID 3078790

Acetamide, n-(2-(acetylamino)-3-thienyl)-n-(3-(dimethylamino)propyl)-, monohydrochloride

Structural Information

Molecular Formula

C₁₃H₂₁N₃O₂S

SMILES

CC(=O)NC1=C(C=CS1)N(CCCN(C)C)C(=O)C

InChI

InChI=1S/C13H21N3O2S/c1-10(17)14-13-12(6-9-19-13)16(11(2)18)8-5-7-15(3)4/h6,9H,5,7-8H2,1-4H3,(H,14,17)

InChIKey

CPKLIGZEKJITCT-UHFFFAOYSA-N

Compound name

N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.13544 Da
Monoisotopic Mass: 0.9
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]+	284.142716	170.0
[M+Na]+	306.124658	174.1
[M-H]-	282.128164	176.0
[M+NH4]+	301.169263	188.3
[M+K]+	322.098598	173.9
[M+H-H2O]+	266.132700	162.0
[M+HCOO]-	328.133641	190.9
[M+CH3COO]-	342.149291	212.6
[M+Na-2H]-	304.110106	167.7
[M]+	283.13489142	174.8
[M]-	283.13598858	174.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.