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]+ 364.111436 186.2
[M+Na]+ 386.093378 198.7
[M-H]- 362.096884 195.0
[M+NH4]+ 381.137983 200.5
[M+K]+ 402.067318 191.6
[M+H-H2O]+ 346.101420 177.6
[M+HCOO]- 408.102361 205.0
[M+CH3COO]- 422.118011 198.0
[M+Na-2H]- 384.078826 185.6
[M]+ 363.10361142 193.6
[M]- 363.10470858 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.