CID 53626282

1-{thieno[3,2-b]furan-5-carbonyl}piperazine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂S

SMILES

C1CN(CCN1)C(=O)C2=CC3=C(S2)C=CO3

InChI

InChI=1S/C11H12N2O2S/c14-11(13-4-2-12-3-5-13)10-7-8-9(16-10)1-6-15-8/h1,6-7,12H,2-5H2

InChIKey

DJWYDMDVTYPGJJ-UHFFFAOYSA-N

Compound name

piperazin-1-yl(thieno[3,2-b]furan-5-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.06195 Da
Monoisotopic Mass: 1.2
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]+	237.069226	149.9
[M+Na]+	259.051168	158.6
[M-H]-	235.054674	154.8
[M+NH4]+	254.095773	168.3
[M+K]+	275.025108	156.3
[M+H-H2O]+	219.059210	144.1
[M+HCOO]-	281.060151	164.0
[M+CH3COO]-	295.075801	162.2
[M+Na-2H]-	257.036616	150.5
[M]+	236.06140142	150.1
[M]-	236.06249858	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.