CID 3078778

Brn 5961905

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₂S

SMILES

CCCCCCN(C1=C(SC=C1)NC(=O)C)C(=O)C

InChI

InChI=1S/C14H22N2O2S/c1-4-5-6-7-9-16(12(3)18)13-8-10-19-14(13)15-11(2)17/h8,10H,4-7,9H2,1-3H3,(H,15,17)

InChIKey

RSAQQUYDJHPZMK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.1402 Da
Monoisotopic Mass: 2.8
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]+	283.147476	170.3
[M+Na]+	305.129418	174.8
[M-H]-	281.132924	174.8
[M+NH4]+	300.174023	188.5
[M+K]+	321.103358	173.0
[M+H-H2O]+	265.137460	162.9
[M+HCOO]-	327.138401	189.6
[M+CH3COO]-	341.154051	207.1
[M+Na-2H]-	303.114866	167.6
[M]+	282.13965142	175.0
[M]-	282.14074858	175.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.