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]+ 481.91271 191.0
[M+Na]+ 503.89465 210.2
[M-H]- 479.89815 202.6
[M+NH4]+ 498.93925 206.9
[M+K]+ 519.86859 195.4
[M+H-H2O]+ 463.90269 191.2
[M+HCOO]- 525.90363 199.1
[M+CH3COO]- 539.91928 204.9
[M+Na-2H]- 501.88010 190.7
[M]+ 480.90488 219.6
[M]- 480.90598 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.