CID 50500

Brn 1265532

Structural Information

Molecular Formula
C20H20ClNO2
SMILES
C1CCN(CC1)CC2=C(C=CC3=C2C(=C(O3)C4=CC=CC=C4)Cl)O
InChI
InChI=1S/C20H20ClNO2/c21-19-18-15(13-22-11-5-2-6-12-22)16(23)9-10-17(18)24-20(19)14-7-3-1-4-8-14/h1,3-4,7-10,23H,2,5-6,11-13H2
InChIKey
DTQBVSJTCLYWDS-UHFFFAOYSA-N
Compound name
3-chloro-2-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.11826 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12554 180.4
[M+Na]+ 364.10748 189.0
[M-H]- 340.11098 188.8
[M+NH4]+ 359.15208 194.0
[M+K]+ 380.08142 182.6
[M+H-H2O]+ 324.11552 171.9
[M+HCOO]- 386.11646 193.6
[M+CH3COO]- 400.13211 191.0
[M+Na-2H]- 362.09293 182.2
[M]+ 341.11771 181.5
[M]- 341.11881 181.5
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.