CID 511630

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

Structural Information

Molecular Formula
C16H14N2O3S
SMILES
CC1=C(C(=O)C2=C(C1=O)N=C(S2)C)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C16H14N2O3S/c1-8-12(18-10-4-6-11(21-3)7-5-10)15(20)16-13(14(8)19)17-9(2)22-16/h4-7,18H,1-3H3
InChIKey
ITRWKRMWNIHFMQ-UHFFFAOYSA-N
Compound name
6-(4-methoxyanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.0725 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.079776 170.2
[M+Na]+ 337.061718 181.2
[M-H]- 313.065224 177.9
[M+NH4]+ 332.106323 187.4
[M+K]+ 353.035658 176.3
[M+H-H2O]+ 297.069760 163.3
[M+HCOO]- 359.070701 188.6
[M+CH3COO]- 373.086351 208.8
[M+Na-2H]- 335.047166 170.7
[M]+ 314.07195142 175.8
[M]- 314.07304858 175.8
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.