CID 6482767

Schembl4995485

Structural Information

Molecular Formula
C21H22N4S
SMILES
CSC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N4S/c1-26-19-9-7-17(8-10-19)20-15-22-16-21(23-20)25-13-11-24(12-14-25)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3
InChIKey
NNCFPNCRCNQYRV-UHFFFAOYSA-N
Compound name
2-(4-methylsulfanylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

362.15652 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.16380 186.8
[M+Na]+ 385.14574 193.6
[M-H]- 361.14924 193.0
[M+NH4]+ 380.19034 193.6
[M+K]+ 401.11968 185.0
[M+H-H2O]+ 345.15378 174.2
[M+HCOO]- 407.15472 196.9
[M+CH3COO]- 421.17037 194.6
[M+Na-2H]- 383.13119 188.2
[M]+ 362.15597 183.7
[M]- 362.15707 183.7
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.