CID 6482813

Schembl4994661

Structural Information

Molecular Formula
C24H28N4O2
SMILES
CC1=CC(=CC(=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC(=C(C=C4)OC)OC)C
InChI
InChI=1S/C24H28N4O2/c1-17-11-18(2)13-19(12-17)21-15-25-16-24(26-21)28-9-7-27(8-10-28)20-5-6-22(29-3)23(14-20)30-4/h5-6,11-16H,7-10H2,1-4H3
InChIKey
NSPLTGKPIRHHMC-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-(3,5-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]+ 405.22850 205.3
[M+Na]+ 427.21044 212.0
[M-H]- 403.21394 212.0
[M+NH4]+ 422.25504 209.9
[M+K]+ 443.18438 205.0
[M+H-H2O]+ 387.21848 190.8
[M+HCOO]- 449.21942 218.7
[M+CH3COO]- 463.23507 212.4
[M+Na-2H]- 425.19589 205.0
[M]+ 404.22067 204.7
[M]- 404.22177 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