CID 120970

Piperazine, 1-(4-chlorophenyl)-4-((5-methoxy-2-benzofuranyl)methyl)-

Structural Information

Molecular Formula
C20H21ClN2O2
SMILES
COC1=CC2=C(C=C1)OC(=C2)CN3CCN(CC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H21ClN2O2/c1-24-18-6-7-20-15(12-18)13-19(25-20)14-22-8-10-23(11-9-22)17-4-2-16(21)3-5-17/h2-7,12-13H,8-11,14H2,1H3
InChIKey
AUFUVCDMIHBGNN-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12915 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.136426 184.9
[M+Na]+ 379.118368 193.8
[M-H]- 355.121874 193.1
[M+NH4]+ 374.162973 197.1
[M+K]+ 395.092308 188.0
[M+H-H2O]+ 339.126410 174.7
[M+HCOO]- 401.127351 198.1
[M+CH3COO]- 415.143001 195.2
[M+Na-2H]- 377.103816 186.7
[M]+ 356.12860142 188.1
[M]- 356.12969858 188.1
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

No patent data available for this compound.