CID 6483184

Schembl5000821

Structural Information

Molecular Formula
C22H22Cl2N4O2
SMILES
COC1=C(C=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl)OC
InChI
InChI=1S/C22H22Cl2N4O2/c1-29-20-6-3-15(11-21(20)30-2)19-13-25-14-22(26-19)28-9-7-27(8-10-28)16-4-5-17(23)18(24)12-16/h3-6,11-14H,7-10H2,1-2H3
InChIKey
BNBGWTPKOYFOOX-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

444.11197 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.11925 204.9
[M+Na]+ 467.10119 213.2
[M-H]- 443.10469 210.5
[M+NH4]+ 462.14579 209.3
[M+K]+ 483.07513 205.2
[M+H-H2O]+ 427.10923 190.7
[M+HCOO]- 489.11017 209.3
[M+CH3COO]- 503.12582 211.7
[M+Na-2H]- 465.08664 204.6
[M]+ 444.11142 207.2
[M]- 444.11252 207.2
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