CID 96209

Butanamide, n-(6-ethoxy-2-benzothiazolyl)-3-oxo-

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃S

SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CC(=O)C

InChI

InChI=1S/C13H14N2O3S/c1-3-18-9-4-5-10-11(7-9)19-13(14-10)15-12(17)6-8(2)16/h4-5,7H,3,6H2,1-2H3,(H,14,15,17)

InChIKey

GXFGVXXEQKKDGE-UHFFFAOYSA-N

Compound name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 95
Patents: 278.0725 Da
Monoisotopic Mass: 3.0
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]+	279.079776	161.5
[M+Na]+	301.061718	170.4
[M-H]-	277.065224	165.4
[M+NH4]+	296.106323	179.6
[M+K]+	317.035658	167.3
[M+H-H2O]+	261.069760	154.9
[M+HCOO]-	323.070701	180.3
[M+CH3COO]-	337.086351	199.5
[M+Na-2H]-	299.047166	163.4
[M]+	278.07195142	168.3
[M]-	278.07304858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe