CID 511636

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

Structural Information

Molecular Formula
C15H11ClN2O2S
SMILES
CC1=C(C(=O)C2=C(C1=O)N=C(S2)C)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H11ClN2O2S/c1-7-11(18-10-5-3-9(16)4-6-10)14(20)15-12(13(7)19)17-8(2)21-15/h3-6,18H,1-2H3
InChIKey
PWBGFZWDAMSWBV-UHFFFAOYSA-N
Compound name
6-(4-chloroanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.02298 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03026 170.2
[M+Na]+ 341.01220 182.7
[M-H]- 317.01570 178.0
[M+NH4]+ 336.05680 188.3
[M+K]+ 356.98614 175.9
[M+H-H2O]+ 301.02024 164.4
[M+HCOO]- 363.02118 184.2
[M+CH3COO]- 377.03683 183.0
[M+Na-2H]- 338.99765 170.5
[M]+ 318.02243 176.1
[M]- 318.02353 176.1
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.