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]+ 374.116896 186.7
[M+Na]+ 396.098838 199.8
[M-H]- 372.102344 192.3
[M+NH4]+ 391.143443 199.2
[M+K]+ 412.072778 193.6
[M+H-H2O]+ 356.106880 178.2
[M+HCOO]- 418.107821 204.0
[M+CH3COO]- 432.123471 215.5
[M+Na-2H]- 394.084286 186.9
[M]+ 373.10907142 197.7
[M]- 373.11016858 197.7
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.