CID 1974861

617694-29-8

Structural Information

Molecular Formula
C19H17N3O3S2
SMILES
CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=CS4)S2)OCC
InChI
InChI=1S/C19H17N3O3S2/c1-3-24-13-8-7-12(10-14(13)25-4-2)11-16-18(23)22-19(27-16)20-17(21-22)15-6-5-9-26-15/h5-11H,3-4H2,1-2H3/b16-11-
InChIKey
HPYNDAVVRHQEIV-WJDWOHSUSA-N
Compound name
(5Z)-5-[(3,4-diethoxyphenyl)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

399.07114 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.07842 192.4
[M+Na]+ 422.06036 206.7
[M+NH4]+ 417.10496 199.7
[M+K]+ 438.03430 200.4
[M-H]- 398.06386 196.6
[M+Na-2H]- 420.04581 198.5
[M]+ 399.07059 196.6
[M]- 399.07169 196.6
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.