CID 3038182

32081-47-3

Structural Information

Molecular Formula

C₁₂H₁₁N₃S

SMILES

C1=CC=C(C=C1)C(C2=NC=CN=C2)C(=S)N

InChI

InChI=1S/C12H11N3S/c13-12(16)11(9-4-2-1-3-5-9)10-8-14-6-7-15-10/h1-8,11H,(H2,13,16)

InChIKey

LLHDHYPYFLBISK-UHFFFAOYSA-N

Compound name

2-phenyl-2-pyrazin-2-ylethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 229.06737 Da
Monoisotopic Mass: 0.9
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]+	230.07465	148.0
[M+Na]+	252.05659	161.2
[M+NH4]+	247.10119	156.5
[M+K]+	268.03053	152.6
[M-H]-	228.06009	152.1
[M+Na-2H]-	250.04204	157.2
[M]+	229.06682	151.5
[M]-	229.06792	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe