CID 3053058

69467-09-0

Structural Information

Molecular Formula

C₁₂H₉N₃O₂S

SMILES

CSC1=NC(=C(N=N1)C2=CC=CO2)C3=CC=CO3

InChI

InChI=1S/C12H9N3O2S/c1-18-12-13-10(8-4-2-6-16-8)11(14-15-12)9-5-3-7-17-9/h2-7H,1H3

InChIKey

SERAYZIPJKSYSO-UHFFFAOYSA-N

Compound name

5,6-bis(furan-2-yl)-3-methylsulfanyl-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 5
Patents: 259.04153 Da
Monoisotopic Mass: 1.6
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]+	260.04881	152.8
[M+Na]+	282.03075	168.6
[M+NH4]+	277.07535	160.9
[M+K]+	298.00469	164.2
[M-H]-	258.03425	159.7
[M+Na-2H]-	280.01620	161.5
[M]+	259.04098	157.7
[M]-	259.04208	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe