CID 6481708

[(z)-(2-phenyl-4h-1,4-benzothiazin-3-ylidene)amino] acetate

Structural Information

Molecular Formula
C16H14N2O2S
SMILES
CC(=O)ONC1=NC2=CC=CC=C2SC1C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O2S/c1-11(19)20-18-16-15(12-7-3-2-4-8-12)21-14-10-6-5-9-13(14)17-16/h2-10,15H,1H3,(H,17,18)
InChIKey
BBBVWMUZRLHXID-UHFFFAOYSA-N
Compound name
[(2-phenyl-2H-1,4-benzothiazin-3-yl)amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0776 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.084876 165.3
[M+Na]+ 321.066818 172.7
[M-H]- 297.070324 171.4
[M+NH4]+ 316.111423 180.3
[M+K]+ 337.040758 167.9
[M+H-H2O]+ 281.074860 156.9
[M+HCOO]- 343.075801 181.7
[M+CH3COO]- 357.091451 176.3
[M+Na-2H]- 319.052266 170.2
[M]+ 298.07705142 166.6
[M]- 298.07814858 166.6
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.