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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09578 186.0
[M+Na]+ 384.07772 198.8
[M-H]- 360.08122 194.9
[M+NH4]+ 379.12232 200.3
[M+K]+ 400.05166 191.1
[M+H-H2O]+ 344.08576 177.5
[M+HCOO]- 406.08670 204.9
[M+CH3COO]- 420.10235 197.8
[M+Na-2H]- 382.06317 185.3
[M]+ 361.08795 192.7
[M]- 361.08905 192.7
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.