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]+ 253.04416 153.1
[M+Na]+ 275.02610 164.2
[M+NH4]+ 270.07070 160.3
[M+K]+ 291.00004 158.1
[M-H]- 251.02960 153.3
[M+Na-2H]- 273.01155 157.2
[M]+ 252.03633 155.0
[M]- 252.03743 155.0
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.