CID 1590276

(5z)-5-(2,4-dichlorobenzylidene)-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C20H15Cl2N3O2S
SMILES
CCCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=C(C=C(C=C4)Cl)Cl)/SC3=N2
InChI
InChI=1S/C20H15Cl2N3O2S/c1-2-9-27-15-7-4-12(5-8-15)18-23-20-25(24-18)19(26)17(28-20)10-13-3-6-14(21)11-16(13)22/h3-8,10-11H,2,9H2,1H3/b17-10-
InChIKey
SGWFGIFTSVHKFR-YVLHZVERSA-N
Compound name
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(4-propoxyphenyl)-[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

431.0262 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.03348 199.8
[M+Na]+ 454.01542 217.7
[M+NH4]+ 449.06002 207.7
[M+K]+ 469.98936 208.8
[M-H]- 430.01892 204.6
[M+Na-2H]- 452.00087 207.4
[M]+ 431.02565 204.9
[M]- 431.02675 204.9
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.