CID 1975602

2-(4-chlorophenyl)-5-(2-propoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C20H16ClN3O2S
SMILES
CCCOC1=CC=CC=C1/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Cl)S2
InChI
InChI=1S/C20H16ClN3O2S/c1-2-11-26-16-6-4-3-5-14(16)12-17-19(25)24-20(27-17)22-18(23-24)13-7-9-15(21)10-8-13/h3-10,12H,2,11H2,1H3/b17-12-
InChIKey
XESWZZAECDZSRY-ATVHPVEESA-N
Compound name
(5Z)-2-(4-chlorophenyl)-5-[(2-propoxyphenyl)methylidene]-[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

397.0652 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.07248 192.4
[M+Na]+ 420.05442 209.5
[M+NH4]+ 415.09902 200.3
[M+K]+ 436.02836 201.4
[M-H]- 396.05792 197.3
[M+Na-2H]- 418.03987 200.6
[M]+ 397.06465 197.1
[M]- 397.06575 197.1
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.