CID 43391463

4-ethyl-n-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide

Structural Information

Molecular Formula
C12H19NO2S
SMILES
CCC1=C(SC(=C1)C(=O)NC(CC)CO)C
InChI
InChI=1S/C12H19NO2S/c1-4-9-6-11(16-8(9)3)12(15)13-10(5-2)7-14/h6,10,14H,4-5,7H2,1-3H3,(H,13,15)
InChIKey
IFUMHORVGTVDOK-UHFFFAOYSA-N
Compound name
4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11365 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12093 157.3
[M+Na]+ 264.10287 163.6
[M-H]- 240.10637 159.7
[M+NH4]+ 259.14747 176.5
[M+K]+ 280.07681 160.6
[M+H-H2O]+ 224.11091 151.5
[M+HCOO]- 286.11185 174.1
[M+CH3COO]- 300.12750 193.0
[M+Na-2H]- 262.08832 154.7
[M]+ 241.11310 160.1
[M]- 241.11420 160.1
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.