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]+ 300.08013 168.4
[M+Na]+ 322.06207 184.8
[M+NH4]+ 317.10667 175.7
[M+K]+ 338.03601 176.6
[M-H]- 298.06557 171.2
[M+Na-2H]- 320.04752 175.4
[M]+ 299.07230 172.0
[M]- 299.07340 172.0
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.