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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	358.121996	183.6
[M+Na]+	380.103938	196.2
[M-H]-	356.107444	188.7
[M+NH4]+	375.148543	196.6
[M+K]+	396.077878	189.3
[M+H-H2O]+	340.111980	174.9
[M+HCOO]-	402.112921	200.8
[M+CH3COO]-	416.128571	212.0
[M+Na-2H]-	378.089386	184.2
[M]+	357.11417142	192.8
[M]-	357.11526858	192.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.