CID 6482832

2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine

Structural Information

Molecular Formula
C26H24N4O
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=NC(=CN=C3)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C26H24N4O/c1-3-7-22(8-4-1)29-15-17-30(18-16-29)26-20-27-19-25(28-26)21-11-13-24(14-12-21)31-23-9-5-2-6-10-23/h1-14,19-20H,15-18H2
InChIKey
OJQXXAXAQGKJJS-UHFFFAOYSA-N
Compound name
2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

408.195 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20228 202.7
[M+Na]+ 431.18422 206.9
[M-H]- 407.18772 210.8
[M+NH4]+ 426.22882 205.3
[M+K]+ 447.15816 198.0
[M+H-H2O]+ 391.19226 186.4
[M+HCOO]- 453.19320 216.0
[M+CH3COO]- 467.20885 208.6
[M+Na-2H]- 429.16967 205.9
[M]+ 408.19445 196.9
[M]- 408.19555 196.9
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