CID 132327125

2126178-14-9

Structural Information

Molecular Formula
C20H18N2S2
SMILES
C1CN(CCN1)C2=C3C=C(SC3=CC=C2)C4=C5C=CSC5=CC=C4
InChI
InChI=1S/C20H18N2S2/c1-3-14(15-7-12-23-18(15)5-1)20-13-16-17(4-2-6-19(16)24-20)22-10-8-21-9-11-22/h1-7,12-13,21H,8-11H2
InChIKey
OYQMPLBCUUGIEM-UHFFFAOYSA-N
Compound name
1-[2-(1-benzothiophen-4-yl)-1-benzothiophen-4-yl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.09116 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09844 175.9
[M+Na]+ 373.08038 187.7
[M-H]- 349.08388 184.5
[M+NH4]+ 368.12498 193.0
[M+K]+ 389.05432 179.5
[M+H-H2O]+ 333.08842 170.3
[M+HCOO]- 395.08936 186.6
[M+CH3COO]- 409.10501 187.1
[M+Na-2H]- 371.06583 175.9
[M]+ 350.09061 177.7
[M]- 350.09171 177.7
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.