CID 2139141

606955-88-8

Structural Information

Molecular Formula
C15H13N3O2S
SMILES
CCC1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=O)C(=N3)C)S2
InChI
InChI=1S/C15H13N3O2S/c1-3-10-4-6-11(7-5-10)8-12-14(20)18-15(21-12)16-13(19)9(2)17-18/h4-8H,3H2,1-2H3/b12-8+
InChIKey
JWYWPRKXCCEKHQ-XYOKQWHBSA-N
Compound name
(2E)-2-[(4-ethylphenyl)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

0
References

0
Patents

299.07285 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.080126 167.2
[M+Na]+ 322.062068 181.7
[M-H]- 298.065574 173.0
[M+NH4]+ 317.106673 182.9
[M+K]+ 338.036008 174.8
[M+H-H2O]+ 282.070110 159.4
[M+HCOO]- 344.071051 185.3
[M+CH3COO]- 358.086701 180.2
[M+Na-2H]- 320.047516 169.2
[M]+ 299.07230142 174.2
[M]- 299.07339858 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.