CID 109893

Ethanone, 2-(3-ethyl-5-methyl-2(3h)-benzothiazolylidene)-1-(2-furanyl)-

Structural Information

Molecular Formula
C16H15NO2S
SMILES
CCN1C2=C(C=CC(=C2)C)SC1=CC(=O)C3=CC=CO3
InChI
InChI=1S/C16H15NO2S/c1-3-17-12-9-11(2)6-7-15(12)20-16(17)10-13(18)14-5-4-8-19-14/h4-10H,3H2,1-2H3
InChIKey
CHWBZQVEEZKJSL-UHFFFAOYSA-N
Compound name
2-(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.08234 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08962 165.7
[M+Na]+ 308.07156 177.9
[M+NH4]+ 303.11616 174.3
[M+K]+ 324.04550 172.7
[M-H]- 284.07506 170.1
[M+Na-2H]- 306.05701 169.8
[M]+ 285.08179 169.1
[M]- 285.08289 169.1
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

patents stripe