CID 132317724

N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide

Structural Information

Molecular Formula
C11H9FN2O2S
SMILES
COC1=C2C(=CC(=C1)F)SC(=N2)NC(=O)C=C
InChI
InChI=1S/C11H9FN2O2S/c1-3-9(15)13-11-14-10-7(16-2)4-6(12)5-8(10)17-11/h3-5H,1H2,2H3,(H,13,14,15)
InChIKey
XZHGIKGVGULDJK-UHFFFAOYSA-N
Compound name
N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.03688 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.044156 150.7
[M+Na]+ 275.026098 162.0
[M-H]- 251.029604 153.9
[M+NH4]+ 270.070703 170.3
[M+K]+ 291.000038 157.7
[M+H-H2O]+ 235.034140 143.8
[M+HCOO]- 297.035081 169.9
[M+CH3COO]- 311.050731 194.4
[M+Na-2H]- 273.011546 153.3
[M]+ 252.03633142 155.4
[M]- 252.03742858 155.4
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

No patent data available for this compound.