CID 6482932

Schembl5000619

Structural Information

Molecular Formula
C21H22N4O
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N4O/c1-26-19-9-7-18(8-10-19)24-11-13-25(14-12-24)21-16-22-15-20(23-21)17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3
InChIKey
HHSUAYAOLWMYAN-UHFFFAOYSA-N
Compound name
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

346.17935 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18663 186.8
[M+Na]+ 369.16857 192.3
[M-H]- 345.17207 192.7
[M+NH4]+ 364.21317 192.9
[M+K]+ 385.14251 185.0
[M+H-H2O]+ 329.17661 172.4
[M+HCOO]- 391.17755 201.1
[M+CH3COO]- 405.19320 194.4
[M+Na-2H]- 367.15402 190.4
[M]+ 346.17880 182.5
[M]- 346.17990 182.5
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.