CID 96209

4273-88-5

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
2
Annotation Hits

0
References

43
Patents

278.0725 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07978 161.9
[M+Na]+ 301.06172 172.4
[M+NH4]+ 296.10632 168.9
[M+K]+ 317.03566 166.9
[M-H]- 277.06522 162.8
[M+Na-2H]- 299.04717 165.8
[M]+ 278.07195 163.8
[M]- 278.07305 163.8
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

patents stripe