CID 2060685

(5e)-5-(5-bromo-2-methoxybenzylidene)-2-(2,4-dichlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C18H10BrCl2N3O2S
SMILES
COC1=C(C=C(C=C1)Br)/C=C/2\C(=O)N3C(=NC(=N3)C4=C(C=C(C=C4)Cl)Cl)S2
InChI
InChI=1S/C18H10BrCl2N3O2S/c1-26-14-5-2-10(19)6-9(14)7-15-17(25)24-18(27-15)22-16(23-24)12-4-3-11(20)8-13(12)21/h2-8H,1H3/b15-7+
InChIKey
SRVHKPFNFXIUHX-VIZOYTHASA-N
Compound name
(5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.90543 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.912706 191.0
[M+Na]+ 503.894648 210.2
[M-H]- 479.898154 202.6
[M+NH4]+ 498.939253 206.9
[M+K]+ 519.868588 195.4
[M+H-H2O]+ 463.902690 191.2
[M+HCOO]- 525.903631 199.1
[M+CH3COO]- 539.919281 204.9
[M+Na-2H]- 501.880096 190.7
[M]+ 480.90488142 219.6
[M]- 480.90597858 219.6
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.