CID 6481707

[(z)-(6-chloro-4h-1,4-benzothiazin-3-ylidene)amino] acetate

Structural Information

Molecular Formula
C10H9ClN2O2S
SMILES
CC(=O)ONC1=NC2=C(C=CC(=C2)Cl)SC1
InChI
InChI=1S/C10H9ClN2O2S/c1-6(14)15-13-10-5-16-9-3-2-7(11)4-8(9)12-10/h2-4H,5H2,1H3,(H,12,13)
InChIKey
CEBLSUZGFPWMBF-UHFFFAOYSA-N
Compound name
[(6-chloro-2H-1,4-benzothiazin-3-yl)amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.00732 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01460 149.6
[M+Na]+ 278.99654 158.8
[M-H]- 255.00004 153.1
[M+NH4]+ 274.04114 167.8
[M+K]+ 294.97048 154.5
[M+H-H2O]+ 239.00458 144.0
[M+HCOO]- 301.00552 161.9
[M+CH3COO]- 315.02117 191.5
[M+Na-2H]- 276.98199 154.4
[M]+ 256.00677 153.4
[M]- 256.00787 153.4
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.