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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06923 149.9
[M+Na]+ 259.05117 158.6
[M-H]- 235.05467 154.8
[M+NH4]+ 254.09577 168.3
[M+K]+ 275.02511 156.3
[M+H-H2O]+ 219.05921 144.1
[M+HCOO]- 281.06015 164.0
[M+CH3COO]- 295.07580 162.2
[M+Na-2H]- 257.03662 150.5
[M]+ 236.06140 150.1
[M]- 236.06250 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.