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 186.7
[M+Na]+ 396.09884 199.8
[M-H]- 372.10234 192.3
[M+NH4]+ 391.14344 199.2
[M+K]+ 412.07278 193.6
[M+H-H2O]+ 356.10688 178.2
[M+HCOO]- 418.10782 204.0
[M+CH3COO]- 432.12347 215.5
[M+Na-2H]- 394.08429 186.9
[M]+ 373.10907 197.7
[M]- 373.11017 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.