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 170.3
[M+Na]+ 305.12942 174.8
[M-H]- 281.13292 174.8
[M+NH4]+ 300.17402 188.5
[M+K]+ 321.10336 173.0
[M+H-H2O]+ 265.13746 162.9
[M+HCOO]- 327.13840 189.6
[M+CH3COO]- 341.15405 207.1
[M+Na-2H]- 303.11487 167.6
[M]+ 282.13965 175.0
[M]- 282.14075 175.0
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.