CID 2760444

84587-70-2

Structural Information

Molecular Formula

C₉H₁₄N₄OS

SMILES

C1CN(CCN1)CC(=O)NC2=NC=CS2

InChI

InChI=1S/C9H14N4OS/c14-8(12-9-11-3-6-15-9)7-13-4-1-10-2-5-13/h3,6,10H,1-2,4-5,7H2,(H,11,12,14)

InChIKey

YWWRBWVAUWLRIZ-UHFFFAOYSA-N

Compound name

2-piperazin-1-yl-N-(1,3-thiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 226.08884 Da
Monoisotopic Mass: 0.2
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]+	227.09612	148.6
[M+Na]+	249.07806	153.7
[M-H]-	225.08156	149.4
[M+NH4]+	244.12266	163.6
[M+K]+	265.05200	150.2
[M+H-H2O]+	209.08610	140.2
[M+HCOO]-	271.08704	161.3
[M+CH3COO]-	285.10269	158.6
[M+Na-2H]-	247.06351	149.7
[M]+	226.08829	144.0
[M]-	226.08939	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe