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 183.6
[M+Na]+ 380.10394 196.2
[M-H]- 356.10744 188.7
[M+NH4]+ 375.14854 196.6
[M+K]+ 396.07788 189.3
[M+H-H2O]+ 340.11198 174.9
[M+HCOO]- 402.11292 200.8
[M+CH3COO]- 416.12857 212.0
[M+Na-2H]- 378.08939 184.2
[M]+ 357.11417 192.8
[M]- 357.11527 192.8
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.