CID 511631

6-(4-ethoxyanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione

Structural Information

Molecular Formula
C17H16N2O3S
SMILES
CCOC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)SC(=N3)C)C
InChI
InChI=1S/C17H16N2O3S/c1-4-22-12-7-5-11(6-8-12)19-13-9(2)15(20)14-17(16(13)21)23-10(3)18-14/h5-8,19H,4H2,1-3H3
InChIKey
QANGXXPSBIHUAB-UHFFFAOYSA-N
Compound name
6-(4-ethoxyanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.08817 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.09545 174.6
[M+Na]+ 351.07739 185.2
[M-H]- 327.08089 182.1
[M+NH4]+ 346.12199 191.2
[M+K]+ 367.05133 180.0
[M+H-H2O]+ 311.08543 167.5
[M+HCOO]- 373.08637 192.7
[M+CH3COO]- 387.10202 211.8
[M+Na-2H]- 349.06284 174.7
[M]+ 328.08762 180.5
[M]- 328.08872 180.5
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.