CID 6482828

Schembl4994259

Structural Information

Molecular Formula
C26H23ClN4O
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=CN=C3)C4=CC=CC=C4OC5=CC=CC=C5
InChI
InChI=1S/C26H23ClN4O/c27-20-7-6-8-21(17-20)30-13-15-31(16-14-30)26-19-28-18-24(29-26)23-11-4-5-12-25(23)32-22-9-2-1-3-10-22/h1-12,17-19H,13-16H2
InChIKey
BQBMAVOJEYNXJR-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2-phenoxyphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

442.15604 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.16332 209.4
[M+Na]+ 465.14526 215.1
[M-H]- 441.14876 217.4
[M+NH4]+ 460.18986 211.7
[M+K]+ 481.11920 205.3
[M+H-H2O]+ 425.15330 192.8
[M+HCOO]- 487.15424 218.0
[M+CH3COO]- 501.16989 215.1
[M+Na-2H]- 463.13071 211.2
[M]+ 442.15549 206.4
[M]- 442.15659 206.4
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.