CID 3067874

Brn 0833654

Structural Information

Molecular Formula
C20H21ClN2O2
SMILES
COC1=CC2=C(C=C1)OC(=C2)CN3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C20H21ClN2O2/c1-24-18-5-6-20-15(11-18)12-19(25-20)14-22-7-9-23(10-8-22)17-4-2-3-16(21)13-17/h2-6,11-13H,7-10,14H2,1H3
InChIKey
DGZHFYBDAUXVDH-UHFFFAOYSA-N
Compound name
1-(3-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]+ 357.13643 184.9
[M+Na]+ 379.11837 193.8
[M-H]- 355.12187 193.1
[M+NH4]+ 374.16297 197.1
[M+K]+ 395.09231 188.0
[M+H-H2O]+ 339.12641 174.7
[M+HCOO]- 401.12735 198.1
[M+CH3COO]- 415.14300 195.2
[M+Na-2H]- 377.10382 186.7
[M]+ 356.12860 188.1
[M]- 356.12970 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.