CID 6482782

Schembl4991463

Structural Information

Molecular Formula
C22H24N4S
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)SC
InChI
InChI=1S/C22H24N4S/c1-17-3-7-19(8-4-17)25-11-13-26(14-12-25)22-16-23-15-21(24-22)18-5-9-20(27-2)10-6-18/h3-10,15-16H,11-14H2,1-2H3
InChIKey
KWAHRIUKGMHVAL-UHFFFAOYSA-N
Compound name
2-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

376.17218 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17946 192.0
[M+Na]+ 399.16140 199.1
[M-H]- 375.16490 198.4
[M+NH4]+ 394.20600 198.4
[M+K]+ 415.13534 190.3
[M+H-H2O]+ 359.16944 179.2
[M+HCOO]- 421.17038 201.7
[M+CH3COO]- 435.18603 199.6
[M+Na-2H]- 397.14685 192.0
[M]+ 376.17163 189.6
[M]- 376.17273 189.6
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.