CID 71756202

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

Structural Information

Molecular Formula
C11H12N2OS2
SMILES
C1CN(CCN1)C(=O)C2=CC3=C(S2)C=CS3
InChI
InChI=1S/C11H12N2OS2/c14-11(13-4-2-12-3-5-13)10-7-9-8(16-10)1-6-15-9/h1,6-7,12H,2-5H2
InChIKey
WIHRZDCWPDXVNU-UHFFFAOYSA-N
Compound name
piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.03911 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.046386 153.2
[M+Na]+ 275.028328 162.7
[M-H]- 251.031834 157.4
[M+NH4]+ 270.072933 172.8
[M+K]+ 291.002268 158.2
[M+H-H2O]+ 235.036370 148.3
[M+HCOO]- 297.037311 162.8
[M+CH3COO]- 311.052961 164.9
[M+Na-2H]- 273.013776 151.6
[M]+ 252.03856142 153.1
[M]- 252.03965858 153.1
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.