CID 6371591

(5e)-5-(4-ethylbenzylidene)-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C20H17N3OS
SMILES
CCC1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C)S2
InChI
InChI=1S/C20H17N3OS/c1-3-14-6-8-15(9-7-14)12-17-19(24)23-20(25-17)21-18(22-23)16-10-4-13(2)5-11-16/h4-12H,3H2,1-2H3/b17-12+
InChIKey
DPVNDTMKOBJUOK-SFQUDFHCSA-N
Compound name
(5E)-5-[(4-ethylphenyl)methylidene]-2-(4-methylphenyl)-[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

347.10922 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.116496 183.5
[M+Na]+ 370.098438 197.2
[M-H]- 346.101944 192.7
[M+NH4]+ 365.143043 198.9
[M+K]+ 386.072378 189.4
[M+H-H2O]+ 330.106480 175.3
[M+HCOO]- 392.107421 202.0
[M+CH3COO]- 406.123071 195.8
[M+Na-2H]- 368.083886 182.0
[M]+ 347.10867142 190.1
[M]- 347.10976858 190.1
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.