CID 6482744

Schembl5000893

Structural Information

Molecular Formula
C20H19ClN4
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=CN=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H19ClN4/c21-17-7-4-8-18(13-17)24-9-11-25(12-10-24)20-15-22-14-19(23-20)16-5-2-1-3-6-16/h1-8,13-15H,9-12H2
InChIKey
OOURNJSIARASKL-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-phenylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

350.12982 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13710 185.0
[M+Na]+ 373.11904 191.7
[M-H]- 349.12254 190.5
[M+NH4]+ 368.16364 191.9
[M+K]+ 389.09298 182.9
[M+H-H2O]+ 333.12708 170.9
[M+HCOO]- 395.12802 194.8
[M+CH3COO]- 409.14367 192.8
[M+Na-2H]- 371.10449 188.6
[M]+ 350.12927 181.3
[M]- 350.13037 181.3
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.