CID 511632

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

Structural Information

Molecular Formula
C16H14N2O2S
SMILES
CC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)SC(=N3)C)C
InChI
InChI=1S/C16H14N2O2S/c1-8-4-6-11(7-5-8)18-12-9(2)14(19)13-16(15(12)20)21-10(3)17-13/h4-7,18H,1-3H3
InChIKey
SBWVXENYQXMRHO-UHFFFAOYSA-N
Compound name
2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.0776 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.084876 167.0
[M+Na]+ 321.066818 178.3
[M-H]- 297.070324 174.7
[M+NH4]+ 316.111423 185.0
[M+K]+ 337.040758 172.7
[M+H-H2O]+ 281.074860 160.3
[M+HCOO]- 343.075801 185.3
[M+CH3COO]- 357.091451 179.7
[M+Na-2H]- 319.052266 167.3
[M]+ 298.07705142 171.2
[M]- 298.07814858 171.2
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.