CID 3023980

94201-16-8

Structural Information

Molecular Formula

C₁₂H₁₄N₂S₂

SMILES

CC1=C(C=CS1)SC2=NC=CN=C2C(C)C

InChI

InChI=1S/C12H14N2S2/c1-8(2)11-12(14-6-5-13-11)16-10-4-7-15-9(10)3/h4-8H,1-3H3

InChIKey

VTNHXYJLRZHYLW-UHFFFAOYSA-N

Compound name

2-(2-methylthiophen-3-yl)sulfanyl-3-propan-2-ylpyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.05984 Da
Monoisotopic Mass: 3.4
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]+	251.067116	151.8
[M+Na]+	273.049058	162.2
[M-H]-	249.052564	156.7
[M+NH4]+	268.093663	169.7
[M+K]+	289.022998	157.2
[M+H-H2O]+	233.057100	145.1
[M+HCOO]-	295.058041	163.7
[M+CH3COO]-	309.073691	164.3
[M+Na-2H]-	271.034506	150.4
[M]+	250.05929142	155.7
[M]-	250.06038858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.