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]+ 328.075026 174.2
[M+Na]+ 350.056968 188.1
[M-H]- 326.060474 179.8
[M+NH4]+ 345.101573 188.4
[M+K]+ 366.030908 181.0
[M+H-H2O]+ 310.065010 166.0
[M+HCOO]- 372.065951 192.3
[M+CH3COO]- 386.081601 186.6
[M+Na-2H]- 348.042416 175.8
[M]+ 327.06720142 182.1
[M]- 327.06829858 182.1
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.