CID 6483156

Schembl4995301

Structural Information

Molecular Formula
C25H23N5O
SMILES
C1CN(CCN1C2=CC=CC=N2)C3=NC(=CN=C3)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C25H23N5O/c1-2-6-21(7-3-1)31-22-11-9-20(10-12-22)23-18-26-19-25(28-23)30-16-14-29(15-17-30)24-8-4-5-13-27-24/h1-13,18-19H,14-17H2
InChIKey
LVFMMHQOMNMJHH-UHFFFAOYSA-N
Compound name
2-(4-phenoxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

409.19025 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.19753 202.8
[M+Na]+ 432.17947 207.4
[M-H]- 408.18297 209.7
[M+NH4]+ 427.22407 203.9
[M+K]+ 448.15341 198.1
[M+H-H2O]+ 392.18751 185.9
[M+HCOO]- 454.18845 214.9
[M+CH3COO]- 468.20410 208.3
[M+Na-2H]- 430.16492 206.6
[M]+ 409.18970 197.1
[M]- 409.19080 197.1
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

No patent data available for this compound.