CID 198587

1-(3-benzofuryl)-4-benzylpiperazine

Structural Information

Molecular Formula
C19H20N2O
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=COC4=CC=CC=C43
InChI
InChI=1S/C19H20N2O/c1-2-6-16(7-3-1)14-20-10-12-21(13-11-20)18-15-22-19-9-5-4-8-17(18)19/h1-9,15H,10-14H2
InChIKey
CPWNRHWDXVSLPJ-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-3-yl)-4-benzylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

292.15756 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 169.2
[M+Na]+ 315.14678 185.6
[M+NH4]+ 310.19138 178.8
[M+K]+ 331.12072 178.1
[M-H]- 291.15028 177.1
[M+Na-2H]- 313.13223 179.0
[M]+ 292.15701 174.1
[M]- 292.15811 174.1
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

patents stripe