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 185.6
[M+Na]+ 392.04980 201.1
[M-H]- 368.05330 196.0
[M+NH4]+ 387.09440 202.7
[M+K]+ 408.02374 194.8
[M+H-H2O]+ 352.05784 180.3
[M+HCOO]- 414.05878 202.8
[M+CH3COO]- 428.07443 198.7
[M+Na-2H]- 390.03525 182.4
[M]+ 369.06003 196.5
[M]- 369.06113 196.5
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.