CID 6509786

Ym-215389

Structural Information

Molecular Formula
C13H14BrClN2O3S2
SMILES
CC(C)C1=C(N(/C(=N/S(=O)(=O)C2=C(C=CC(=C2)Br)O)/S1)C)Cl
InChI
InChI=1S/C13H14BrClN2O3S2/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
IIWLQNGPKWAHDD-SSZFMOIBSA-N
Compound name
(NZ)-5-bromo-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

3
References

0
Patents

423.93176 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.93904 168.8
[M+Na]+ 446.92098 183.8
[M-H]- 422.92448 178.3
[M+NH4]+ 441.96558 185.8
[M+K]+ 462.89492 168.7
[M+H-H2O]+ 406.92902 169.7
[M+HCOO]- 468.92996 175.9
[M+CH3COO]- 482.94561 216.4
[M+Na-2H]- 444.90643 170.3
[M]+ 423.93121 193.9
[M]- 423.93231 193.9
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.