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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14748 169.7
[M+Na]+ 305.12942 176.2
[M+NH4]+ 300.17402 176.2
[M+K]+ 321.10336 171.2
[M-H]- 281.13292 170.9
[M+Na-2H]- 303.11487 172.0
[M]+ 282.13965 171.0
[M]- 282.14075 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.