CID 6483700

Schembl4995180

Structural Information

Molecular Formula
C22H20N4S
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=NC(=CN=C3)C4=CSC5=CC=CC=C54
InChI
InChI=1S/C22H20N4S/c1-2-6-17(7-3-1)25-10-12-26(13-11-25)22-15-23-14-20(24-22)19-16-27-21-9-5-4-8-18(19)21/h1-9,14-16H,10-13H2
InChIKey
VAQZGZHWAJHZCB-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

372.14087 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14815 187.0
[M+Na]+ 395.13009 196.0
[M-H]- 371.13359 195.2
[M+NH4]+ 390.17469 196.4
[M+K]+ 411.10403 187.2
[M+H-H2O]+ 355.13813 175.3
[M+HCOO]- 417.13907 199.1
[M+CH3COO]- 431.15472 196.0
[M+Na-2H]- 393.11554 188.5
[M]+ 372.14032 185.7
[M]- 372.14142 185.7
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

patents stripe