CID 10966027

106261-27-2

Structural Information

Molecular Formula

C₁₁H₁₃N₃S

SMILES

C1CN(CCN1)C2=NC=CC3=C2C=CS3

InChI

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

InChIKey

RVGRTFBJOXMFAX-UHFFFAOYSA-N

Compound name

4-piperazin-1-ylthieno[3,2-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 73
Patents: 219.08302 Da
Monoisotopic Mass: 1.7
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