CID 1987365

617694-39-0

Structural Information

Molecular Formula
C18H19N3O4S
SMILES
CCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N3C(=NC(=O)C(=N3)C)S2)OCC
InChI
InChI=1S/C18H19N3O4S/c1-4-8-25-13-7-6-12(9-14(13)24-5-2)10-15-17(23)21-18(26-15)19-16(22)11(3)20-21/h6-7,9-10H,4-5,8H2,1-3H3/b15-10-
InChIKey
BDZVPITYSSWANF-GDNBJRDFSA-N
Compound name
(2Z)-2-[(3-ethoxy-4-propoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

373.10962 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11690 189.0
[M+Na]+ 396.09884 204.1
[M+NH4]+ 391.14344 194.6
[M+K]+ 412.07278 196.5
[M-H]- 372.10234 190.8
[M+Na-2H]- 394.08429 194.1
[M]+ 373.10907 192.1
[M]- 373.11017 192.1
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.