CID 109893

68239-18-9

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 166.8
[M+Na]+ 308.07156 176.7
[M-H]- 284.07506 174.8
[M+NH4]+ 303.11616 185.8
[M+K]+ 324.04550 173.3
[M+H-H2O]+ 268.07960 161.5
[M+HCOO]- 330.08054 183.5
[M+CH3COO]- 344.09619 179.6
[M+Na-2H]- 306.05701 165.1
[M]+ 285.08179 171.4
[M]- 285.08289 171.4
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