CID 1986408

609794-83-4

Structural Information

Molecular Formula
C20H17N3O2S
SMILES
CCCOC1=CC=CC=C1/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2
InChI
InChI=1S/C20H17N3O2S/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/h3-11,13H,2,12H2,1H3/b17-13-
InChIKey
MINMRFGCXGBRSY-LGMDPLHJSA-N
Compound name
(5Z)-2-phenyl-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

2
References

0
Patents

363.10416 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11144 186.2
[M+Na]+ 386.09338 198.7
[M-H]- 362.09688 195.0
[M+NH4]+ 381.13798 200.5
[M+K]+ 402.06732 191.6
[M+H-H2O]+ 346.10142 177.6
[M+HCOO]- 408.10236 205.0
[M+CH3COO]- 422.11801 198.0
[M+Na-2H]- 384.07883 185.6
[M]+ 363.10361 193.6
[M]- 363.10471 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.