CID 6482873

Schembl4997730

Structural Information

Molecular Formula
C23H22N4S
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CSC5=CC=CC=C54
InChI
InChI=1S/C23H22N4S/c1-17-6-8-18(9-7-17)26-10-12-27(13-11-26)23-15-24-14-21(25-23)20-16-28-22-5-3-2-4-19(20)22/h2-9,14-16H,10-13H2,1H3
InChIKey
BWLYKBVYOIVRNH-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

386.15652 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.16380 192.5
[M+Na]+ 409.14574 201.8
[M-H]- 385.14924 200.8
[M+NH4]+ 404.19034 201.6
[M+K]+ 425.11968 192.8
[M+H-H2O]+ 369.15378 180.8
[M+HCOO]- 431.15472 204.2
[M+CH3COO]- 445.17037 201.3
[M+Na-2H]- 407.13119 192.6
[M]+ 386.15597 191.9
[M]- 386.15707 191.9
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