CID 3078792

Acetamide, n-(2-(acetylamino)-3-thienyl)-n-(2-(diethylamino)ethyl)-, monohydrochloride

Structural Information

Molecular Formula

C₁₄H₂₃N₃O₂S

SMILES

CCN(CC)CCN(C1=C(SC=C1)NC(=O)C)C(=O)C

InChI

InChI=1S/C14H23N3O2S/c1-5-16(6-2)8-9-17(12(4)19)13-7-10-20-14(13)15-11(3)18/h7,10H,5-6,8-9H2,1-4H3,(H,15,18)

InChIKey

WPZPLZOGQIOZOS-UHFFFAOYSA-N

Compound name

N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.1511 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]+	298.158376	174.4
[M+Na]+	320.140318	178.1
[M-H]-	296.143824	180.3
[M+NH4]+	315.184923	192.2
[M+K]+	336.114258	177.7
[M+H-H2O]+	280.148360	166.3
[M+HCOO]-	342.149301	195.1
[M+CH3COO]-	356.164951	215.6
[M+Na-2H]-	318.125766	171.7
[M]+	297.15055142	179.6
[M]-	297.15164858	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.