CID 1979695

609794-86-7

Structural Information

Molecular Formula
C18H15N3O2S2
SMILES
CCCOC1=CC=CC=C1/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=CS4)S2
InChI
InChI=1S/C18H15N3O2S2/c1-2-9-23-13-7-4-3-6-12(13)11-15-17(22)21-18(25-15)19-16(20-21)14-8-5-10-24-14/h3-8,10-11H,2,9H2,1H3/b15-11-
InChIKey
ZUKIJYSRLQMUBK-PTNGSMBKSA-N
Compound name
(5Z)-5-[(2-propoxyphenyl)methylidene]-2-thiophen-2-yl-[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

369.06058 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.06786 183.5
[M+Na]+ 392.04980 198.2
[M+NH4]+ 387.09440 191.5
[M+K]+ 408.02374 191.4
[M-H]- 368.05330 188.1
[M+Na-2H]- 390.03525 190.5
[M]+ 369.06003 187.9
[M]- 369.06113 187.9
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.