CID 6482928

Schembl5003014

Structural Information

Molecular Formula
C24H20Cl2N4
SMILES
C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C3=NC(=CN=C3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C24H20Cl2N4/c25-21-9-8-18(14-22(21)26)29-10-12-30(13-11-29)24-16-27-15-23(28-24)20-7-3-5-17-4-1-2-6-19(17)20/h1-9,14-16H,10-13H2
InChIKey
RKYNEDWMZNQEDT-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-naphthalen-1-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

434.1065 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.11378 204.6
[M+Na]+ 457.09572 212.7
[M-H]- 433.09922 210.0
[M+NH4]+ 452.14032 209.7
[M+K]+ 473.06966 202.2
[M+H-H2O]+ 417.10376 189.3
[M+HCOO]- 479.10470 207.4
[M+CH3COO]- 493.12035 210.8
[M+Na-2H]- 455.08117 206.4
[M]+ 434.10595 203.1
[M]- 434.10705 203.1
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