CID 6482727

Schembl5003300

Structural Information

Molecular Formula
C18H17ClN4S
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=CN=C3)C4=CSC=C4
InChI
InChI=1S/C18H17ClN4S/c19-15-2-1-3-16(10-15)22-5-7-23(8-6-22)18-12-20-11-17(21-18)14-4-9-24-13-14/h1-4,9-13H,5-8H2
InChIKey
VAIXRKFDPPZLBO-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

356.08624 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09352 181.1
[M+Na]+ 379.07546 189.9
[M-H]- 355.07896 188.2
[M+NH4]+ 374.12006 191.2
[M+K]+ 395.04940 181.8
[M+H-H2O]+ 339.08350 169.9
[M+HCOO]- 401.08444 188.6
[M+CH3COO]- 415.10009 190.2
[M+Na-2H]- 377.06091 180.0
[M]+ 356.08569 180.4
[M]- 356.08679 180.4
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.