CID 9567741

Bdbm5051

Structural Information

Molecular Formula
C13H14Cl2N2O3S2
SMILES
CC(C)C1=C(N(/C(=N/S(=O)(=O)C2=C(C=CC(=C2)Cl)O)/S1)C)Cl
InChI
InChI=1S/C13H14Cl2N2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13-
InChIKey
VTKAGCUSZSWYBW-SSZFMOIBSA-N
Compound name
(NZ)-5-chloro-N-(4-chloro-3-methyl-5-propan-2-yl-1,3-thiazol-2-ylidene)-2-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

379.9823 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.98958 181.1
[M+Na]+ 402.97152 192.4
[M-H]- 378.97502 187.7
[M+NH4]+ 398.01612 196.1
[M+K]+ 418.94546 185.3
[M+H-H2O]+ 362.97956 176.8
[M+HCOO]- 424.98050 184.5
[M+CH3COO]- 438.99615 212.6
[M+Na-2H]- 400.95697 178.8
[M]+ 379.98175 189.0
[M]- 379.98285 189.0
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.