CID 6482869

Schembl4995538

Structural Information

Molecular Formula
C24H28N4O2
SMILES
CC1=C(C(=CC=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC(=C(C=C4)OC)OC)C
InChI
InChI=1S/C24H28N4O2/c1-17-6-5-7-20(18(17)2)21-15-25-16-24(26-21)28-12-10-27(11-13-28)19-8-9-22(29-3)23(14-19)30-4/h5-9,14-16H,10-13H2,1-4H3
InChIKey
JFRCRPHBFZCVHW-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-(2,3-dimethylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

404.22122 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.228496 205.3
[M+Na]+ 427.210438 212.0
[M-H]- 403.213944 212.0
[M+NH4]+ 422.255043 209.9
[M+K]+ 443.184378 205.0
[M+H-H2O]+ 387.218480 190.8
[M+HCOO]- 449.219421 218.7
[M+CH3COO]- 463.235071 212.4
[M+Na-2H]- 425.195886 205.0
[M]+ 404.22067142 204.7
[M]- 404.22176858 204.7
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