CID 481742

6-(4-ethoxyanilino)-1,3-benzothiazole-4,7-dione

Structural Information

Molecular Formula
C15H12N2O3S
SMILES
CCOC1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)SC=N3
InChI
InChI=1S/C15H12N2O3S/c1-2-20-10-5-3-9(4-6-10)17-11-7-12(18)13-15(14(11)19)21-8-16-13/h3-8,17H,2H2,1H3
InChIKey
UUDQXXZTARRDPA-UHFFFAOYSA-N
Compound name
6-(4-ethoxyanilino)-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.05685 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06413 165.4
[M+Na]+ 323.04607 175.3
[M-H]- 299.04957 172.6
[M+NH4]+ 318.09067 182.6
[M+K]+ 339.02001 170.4
[M+H-H2O]+ 283.05411 158.2
[M+HCOO]- 345.05505 184.4
[M+CH3COO]- 359.07070 203.3
[M+Na-2H]- 321.03152 167.8
[M]+ 300.05630 169.8
[M]- 300.05740 169.8
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.