CID 511639

650635-88-4

Structural Information

Molecular Formula
C15H11BrN2O2S
SMILES
CC1=C(C(=O)C2=C(C1=O)N=C(S2)C)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C15H11BrN2O2S/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
NASRIIQVDICKEF-UHFFFAOYSA-N
Compound name
6-(4-bromoanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.97247 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.97975 166.3
[M+Na]+ 384.96169 180.7
[M-H]- 360.96519 176.4
[M+NH4]+ 380.00629 185.4
[M+K]+ 400.93563 167.4
[M+H-H2O]+ 344.96973 165.9
[M+HCOO]- 406.97067 182.8
[M+CH3COO]- 420.98632 180.8
[M+Na-2H]- 382.94714 169.0
[M]+ 361.97192 188.5
[M]- 361.97302 188.5
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.