CID 6482923

Schembl5003028

Structural Information

Molecular Formula
C23H22N4O2
SMILES
COC1=CC=C(C=C1)N2CCN(C(C2)C3=CC4=CC=CC=C4O3)C5=NC=CN=C5
InChI
InChI=1S/C23H22N4O2/c1-28-19-8-6-18(7-9-19)26-12-13-27(23-15-24-10-11-25-23)20(16-26)22-14-17-4-2-3-5-21(17)29-22/h2-11,14-15,20H,12-13,16H2,1H3
InChIKey
PHCNDJABKAGHNR-UHFFFAOYSA-N
Compound name
2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

386.1743 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18158 194.0
[M+Na]+ 409.16352 201.8
[M-H]- 385.16702 202.6
[M+NH4]+ 404.20812 200.3
[M+K]+ 425.13746 195.5
[M+H-H2O]+ 369.17156 180.3
[M+HCOO]- 431.17250 208.9
[M+CH3COO]- 445.18815 202.5
[M+Na-2H]- 407.14897 196.4
[M]+ 386.17375 193.8
[M]- 386.17485 193.8
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.