CID 6482680

Schembl5000888

Structural Information

Molecular Formula
C17H17N5S
SMILES
C1CN(CCN1C2=CC=CC=N2)C3=NC(=CN=C3)C4=CC=CS4
InChI
InChI=1S/C17H17N5S/c1-2-6-19-16(5-1)21-7-9-22(10-8-21)17-13-18-12-14(20-17)15-4-3-11-23-15/h1-6,11-13H,7-10H2
InChIKey
ZSVQZKCCYRYJDX-UHFFFAOYSA-N
Compound name
2-(4-pyridin-2-ylpiperazin-1-yl)-6-thiophen-2-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

323.12045 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12773 173.7
[M+Na]+ 346.10967 181.8
[M-H]- 322.11317 179.6
[M+NH4]+ 341.15427 182.7
[M+K]+ 362.08361 174.6
[M+H-H2O]+ 306.11771 162.0
[M+HCOO]- 368.11865 185.1
[M+CH3COO]- 382.13430 182.8
[M+Na-2H]- 344.09512 174.4
[M]+ 323.11990 170.8
[M]- 323.12100 170.8
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.