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 201.1
[M+Na]+ 454.01542 215.7
[M-H]- 430.01892 209.5
[M+NH4]+ 449.06002 214.4
[M+K]+ 469.98936 207.0
[M+H-H2O]+ 414.02346 193.1
[M+HCOO]- 476.02440 209.7
[M+CH3COO]- 490.04005 211.9
[M+Na-2H]- 452.00087 197.7
[M]+ 431.02565 212.1
[M]- 431.02675 212.1
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.