CID 1986381

617694-60-7

Structural Information

Molecular Formula
C18H19N3O3S
SMILES
CCCCCOC1=CC=CC=C1/C=C/2\C(=O)N3C(=NC(=O)C(=N3)C)S2
InChI
InChI=1S/C18H19N3O3S/c1-3-4-7-10-24-14-9-6-5-8-13(14)11-15-17(23)21-18(25-15)19-16(22)12(2)20-21/h5-6,8-9,11H,3-4,7,10H2,1-2H3/b15-11+
InChIKey
VIJMLXFRYLFOOS-RVDMUPIBSA-N
Compound name
(2E)-6-methyl-2-[(2-pentoxyphenyl)methylidene]-[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

357.11472 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12200 184.9
[M+Na]+ 380.10394 200.2
[M+NH4]+ 375.14854 191.1
[M+K]+ 396.07788 191.8
[M-H]- 356.10744 187.1
[M+Na-2H]- 378.08939 190.7
[M]+ 357.11417 188.1
[M]- 357.11527 188.1
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.