CID 6482809

Schembl4997565

Structural Information

Molecular Formula
C20H21N5S
SMILES
CSC1=CC=CC=C1C2=CN=CC(=N2)N3CCN(CC3)C4=CC=NC=C4
InChI
InChI=1S/C20H21N5S/c1-26-19-5-3-2-4-17(19)18-14-22-15-20(23-18)25-12-10-24(11-13-25)16-6-8-21-9-7-16/h2-9,14-15H,10-13H2,1H3
InChIKey
VESDKSMXTJQBBB-UHFFFAOYSA-N
Compound name
2-(2-methylsulfanylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

363.15176 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15904 187.1
[M+Na]+ 386.14098 194.3
[M-H]- 362.14448 192.1
[M+NH4]+ 381.18558 192.4
[M+K]+ 402.11492 185.5
[M+H-H2O]+ 346.14902 174.0
[M+HCOO]- 408.14996 196.1
[M+CH3COO]- 422.16561 194.4
[M+Na-2H]- 384.12643 188.9
[M]+ 363.15121 184.1
[M]- 363.15231 184.1
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

patents stripe