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]+ 299.08488 165.3
[M+Na]+ 321.06682 172.7
[M-H]- 297.07032 171.4
[M+NH4]+ 316.11142 180.3
[M+K]+ 337.04076 167.9
[M+H-H2O]+ 281.07486 156.9
[M+HCOO]- 343.07580 181.7
[M+CH3COO]- 357.09145 176.3
[M+Na-2H]- 319.05227 170.2
[M]+ 298.07705 166.6
[M]- 298.07815 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.