CID 14892875

123875-23-0

Structural Information

Molecular Formula

C₁₁H₈N₂OS

SMILES

C1C2=CC(=O)NN=C2C3=CC=CC=C3S1

InChI

InChI=1S/C11H8N2OS/c14-10-5-7-6-15-9-4-2-1-3-8(9)11(7)13-12-10/h1-5H,6H2,(H,12,14)

InChIKey

SPDFCDUCLRSDFJ-UHFFFAOYSA-N

Compound name

2,5-dihydrothiochromeno[4,3-c]pyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 216.03574 Da
Monoisotopic Mass: 1.4
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]+	217.04302	141.9
[M+Na]+	239.02496	157.5
[M+NH4]+	234.06956	152.0
[M+K]+	254.99890	147.5
[M-H]-	215.02846	144.9
[M+Na-2H]-	237.01041	149.2
[M]+	216.03519	145.6
[M]-	216.03629	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe