CID 3057809

Piperidine, 1-((3-(p-chlorophenyl)-6-methoxy-2-benzofuranyl)methyl)-, hydrochloride

Structural Information

Molecular Formula
C21H22ClNO2
SMILES
COC1=CC2=C(C=C1)C(=C(O2)CN3CCCCC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H22ClNO2/c1-24-17-9-10-18-19(13-17)25-20(14-23-11-3-2-4-12-23)21(18)15-5-7-16(22)8-6-15/h5-10,13H,2-4,11-12,14H2,1H3
InChIKey
HCDFZTRNMQNRTA-UHFFFAOYSA-N
Compound name
1-[[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-yl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1339 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14118 185.4
[M+Na]+ 378.12312 193.9
[M-H]- 354.12662 194.9
[M+NH4]+ 373.16772 199.1
[M+K]+ 394.09706 188.1
[M+H-H2O]+ 338.13116 176.2
[M+HCOO]- 400.13210 199.7
[M+CH3COO]- 414.14775 196.1
[M+Na-2H]- 376.10857 186.8
[M]+ 355.13335 188.5
[M]- 355.13445 188.5
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

No patent data available for this compound.