CID 56724773

N-(4-fluoro-1,3-benzothiazol-2-yl)-n-methylglycine

Structural Information

Molecular Formula
C10H9FN2O2S
SMILES
CN(CC(=O)O)C1=NC2=C(C=CC=C2S1)F
InChI
InChI=1S/C10H9FN2O2S/c1-13(5-8(14)15)10-12-9-6(11)3-2-4-7(9)16-10/h2-4H,5H2,1H3,(H,14,15)
InChIKey
YPRJGYAQZGOOAW-UHFFFAOYSA-N
Compound name
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

240.03688 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04416 148.1
[M+Na]+ 263.02610 158.7
[M+NH4]+ 258.07070 155.6
[M+K]+ 279.00004 153.6
[M-H]- 239.02960 148.3
[M+Na-2H]- 261.01155 152.6
[M]+ 240.03633 149.9
[M]- 240.03743 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.