CID 6482865

Schembl4992152

Structural Information

Molecular Formula
C21H19N5S
SMILES
C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3)C4=CSC5=CC=CC=C54
InChI
InChI=1S/C21H19N5S/c1-2-4-20-17(3-1)18(15-27-20)19-13-23-14-21(24-19)26-11-9-25(10-12-26)16-5-7-22-8-6-16/h1-8,13-15H,9-12H2
InChIKey
WJJPUYNOIJCQPT-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

373.1361 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14338 186.8
[M+Na]+ 396.12532 196.2
[M-H]- 372.12882 193.8
[M+NH4]+ 391.16992 194.8
[M+K]+ 412.09926 187.2
[M+H-H2O]+ 356.13336 174.6
[M+HCOO]- 418.13430 197.8
[M+CH3COO]- 432.14995 195.3
[M+Na-2H]- 394.11077 188.6
[M]+ 373.13555 185.6
[M]- 373.13665 185.6
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.