CID 198587

79959-61-8

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 168.1
[M+Na]+ 315.14678 175.1
[M-H]- 291.15028 176.1
[M+NH4]+ 310.19138 181.6
[M+K]+ 331.12072 170.3
[M+H-H2O]+ 275.15482 157.8
[M+HCOO]- 337.15576 186.3
[M+CH3COO]- 351.17141 179.0
[M+Na-2H]- 313.13223 172.6
[M]+ 292.15701 166.5
[M]- 292.15811 166.5
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

patents stripe