CID 34247

Acetamide, n-(2-(5-methoxybenzo(b)thien-3-yl)ethyl)-

Structural Information

Molecular Formula
C13H15NO2S
SMILES
CC(=O)NCCC1=CSC2=C1C=C(C=C2)OC
InChI
InChI=1S/C13H15NO2S/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKey
AXMIJKLYRBIWJK-UHFFFAOYSA-N
Compound name
N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

249.08235 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.089626 154.8
[M+Na]+ 272.071568 164.0
[M-H]- 248.075074 160.1
[M+NH4]+ 267.116173 175.7
[M+K]+ 288.045508 160.4
[M+H-H2O]+ 232.079610 149.0
[M+HCOO]- 294.080551 175.5
[M+CH3COO]- 308.096201 194.7
[M+Na-2H]- 270.057016 157.6
[M]+ 249.08180142 161.1
[M]- 249.08289858 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe