CID 6483185

Schembl5003159

Structural Information

Molecular Formula
C21H20Cl2N4S
SMILES
CSC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H20Cl2N4S/c1-28-17-5-2-15(3-6-17)20-13-24-14-21(25-20)27-10-8-26(9-11-27)16-4-7-18(22)19(23)12-16/h2-7,12-14H,8-11H2,1H3
InChIKey
LZWHLOQVYDRZJO-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

430.07858 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.08586 197.0
[M+Na]+ 453.06780 205.8
[M-H]- 429.07130 202.7
[M+NH4]+ 448.11240 202.9
[M+K]+ 469.04174 196.2
[M+H-H2O]+ 413.07584 184.7
[M+HCOO]- 475.07678 197.3
[M+CH3COO]- 489.09243 204.1
[M+Na-2H]- 451.05325 195.7
[M]+ 430.07803 198.0
[M]- 430.07913 198.0
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