CID 2190715

606956-41-6

Structural Information

Molecular Formula
C16H13N3O3S
SMILES
CC1=NN2C(=O)/C(=C/C3=CC=CC=C3OCC=C)/SC2=NC1=O
InChI
InChI=1S/C16H13N3O3S/c1-3-8-22-12-7-5-4-6-11(12)9-13-15(21)19-16(23-13)17-14(20)10(2)18-19/h3-7,9H,1,8H2,2H3/b13-9-
InChIKey
MRBZZHQPHWESIY-LCYFTJDESA-N
Compound name
(2Z)-6-methyl-2-[(2-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

327.06775 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07503 175.6
[M+Na]+ 350.05697 191.4
[M+NH4]+ 345.10157 181.9
[M+K]+ 366.03091 183.4
[M-H]- 326.06047 177.6
[M+Na-2H]- 348.04242 181.8
[M]+ 327.06720 178.9
[M]- 327.06830 178.9
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.