CID 6483172

Schembl5000886

Structural Information

Molecular Formula
C22H22Cl2N4
SMILES
CC1=CC(=CC(=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl)C
InChI
InChI=1S/C22H22Cl2N4/c1-15-9-16(2)11-17(10-15)21-13-25-14-22(26-21)28-7-5-27(6-8-28)18-3-4-19(23)20(24)12-18/h3-4,9-14H,5-8H2,1-2H3
InChIKey
WYFSCDFACHUDBU-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(3,5-dimethylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

412.12216 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12944 200.5
[M+Na]+ 435.11138 209.2
[M-H]- 411.11488 205.8
[M+NH4]+ 430.15598 206.3
[M+K]+ 451.08532 199.5
[M+H-H2O]+ 395.11942 186.4
[M+HCOO]- 457.12036 204.4
[M+CH3COO]- 471.13601 207.5
[M+Na-2H]- 433.09683 199.8
[M]+ 412.12161 200.0
[M]- 412.12271 200.0
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