CID 2060723

606959-52-8

Structural Information

Molecular Formula

C₂₀H₁₅N₃O₂S

SMILES

C=CCOC1=CC=CC=C1/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2

InChI

InChI=1S/C20H15N3O2S/c1-2-12-25-16-11-7-6-10-15(16)13-17-19(24)23-20(26-17)21-18(22-23)14-8-4-3-5-9-14/h2-11,13H,1,12H2/b17-13+

InChIKey

CWOFMMRAKHVVSE-GHRIWEEISA-N

Compound name

(5E)-2-phenyl-5-[(2-prop-2-enoxyphenyl)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: 361.0885 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	362.095776	186.0
[M+Na]+	384.077718	198.8
[M-H]-	360.081224	194.9
[M+NH4]+	379.122323	200.3
[M+K]+	400.051658	191.1
[M+H-H2O]+	344.085760	177.5
[M+HCOO]-	406.086701	204.9
[M+CH3COO]-	420.102351	197.8
[M+Na-2H]-	382.063166	185.3
[M]+	361.08795142	192.7
[M]-	361.08904858	192.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.