CID 6482959

Schembl4997668

Structural Information

Molecular Formula
C25H24N4O
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C25H24N4O/c1-30-23-8-4-7-22(16-23)28-11-13-29(14-12-28)25-18-26-17-24(27-25)21-10-9-19-5-2-3-6-20(19)15-21/h2-10,15-18H,11-14H2,1H3
InChIKey
VINRAPSVGSMLKL-UHFFFAOYSA-N
Compound name
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

396.195 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.20228 201.2
[M+Na]+ 419.18422 206.9
[M-H]- 395.18772 207.7
[M+NH4]+ 414.22882 206.0
[M+K]+ 435.15816 198.2
[M+H-H2O]+ 379.19226 185.7
[M+HCOO]- 441.19320 213.5
[M+CH3COO]- 455.20885 207.7
[M+Na-2H]- 417.16967 204.7
[M]+ 396.19445 197.0
[M]- 396.19555 197.0
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

No patent data available for this compound.