CID 481738

6-(phenylamino)benzothiazole-4,7-dione

Structural Information

Molecular Formula
C13H8N2O2S
SMILES
C1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)SC=N3
InChI
InChI=1S/C13H8N2O2S/c16-10-6-9(15-8-4-2-1-3-5-8)12(17)13-11(10)14-7-18-13/h1-7,15H
InChIKey
KVUBYEHCNCNNGI-UHFFFAOYSA-N
Compound name
6-anilino-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

256.03064 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03792 153.1
[M+Na]+ 279.01986 163.5
[M-H]- 255.02336 160.4
[M+NH4]+ 274.06446 172.1
[M+K]+ 294.99380 158.4
[M+H-H2O]+ 239.02790 146.4
[M+HCOO]- 301.02884 172.7
[M+CH3COO]- 315.04449 166.3
[M+Na-2H]- 277.00531 157.1
[M]+ 256.03009 155.1
[M]- 256.03119 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.