CID 6482722

Schembl4992992

Structural Information

Molecular Formula
C20H22N6S
SMILES
CSC1=CC=C(C=C1)C2=CN=C(C(=N2)N3CCN(CC3)C4=CC=NC=C4)N
InChI
InChI=1S/C20H22N6S/c1-27-17-4-2-15(3-5-17)18-14-23-19(21)20(24-18)26-12-10-25(11-13-26)16-6-8-22-9-7-16/h2-9,14H,10-13H2,1H3,(H2,21,23)
InChIKey
ASFJUEPPOMCDHR-UHFFFAOYSA-N
Compound name
5-(4-methylsulfanylphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

378.16266 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16994 190.9
[M+Na]+ 401.15188 198.2
[M-H]- 377.15538 195.8
[M+NH4]+ 396.19648 195.4
[M+K]+ 417.12582 188.8
[M+H-H2O]+ 361.15992 178.1
[M+HCOO]- 423.16086 200.4
[M+CH3COO]- 437.17651 197.8
[M+Na-2H]- 399.13733 192.2
[M]+ 378.16211 187.0
[M]- 378.16321 187.0
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

No patent data available for this compound.