CID 6482776

Schembl4997209

Structural Information

Molecular Formula
C22H23ClN4O
SMILES
CCOC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H23ClN4O/c1-2-28-20-8-6-17(7-9-20)21-15-24-16-22(25-21)27-12-10-26(11-13-27)19-5-3-4-18(23)14-19/h3-9,14-16H,2,10-13H2,1H3
InChIKey
HCQABPISQMVUJO-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

394.15604 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16332 197.2
[M+Na]+ 417.14526 203.7
[M-H]- 393.14876 202.8
[M+NH4]+ 412.18986 202.5
[M+K]+ 433.11920 195.2
[M+H-H2O]+ 377.15330 182.6
[M+HCOO]- 439.15424 206.4
[M+CH3COO]- 453.16989 204.2
[M+Na-2H]- 415.13071 199.0
[M]+ 394.15549 195.8
[M]- 394.15659 195.8
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

patents stripe