CID 592122

55745-83-0

Structural Information

Molecular Formula

C₁₁H₁₃N₃S

SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2

InChIKey

LLQMZXMBCQNMJV-UHFFFAOYSA-N

Compound name

2-piperazin-1-yl-1,3-benzothiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 265
Patents: 219.08302 Da
Monoisotopic Mass: 2.1
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]+	220.09030	144.9
[M+Na]+	242.07224	153.9
[M-H]-	218.07574	147.3
[M+NH4]+	237.11684	162.2
[M+K]+	258.04618	148.6
[M+H-H2O]+	202.08028	137.2
[M+HCOO]-	264.08122	158.1
[M+CH3COO]-	278.09687	156.5
[M+Na-2H]-	240.05769	148.6
[M]+	219.08247	142.5
[M]-	219.08357	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe