CID 3046182

1'-hydroxy-3-(4-methoxyphenyl)spiro(isobenzofuran-1(3h),4'-piperidine)

Structural Information

Molecular Formula
C19H21NO3
SMILES
COC1=CC=C(C=C1)C2C3=CC=CC=C3C4(O2)CCN(CC4)O
InChI
InChI=1S/C19H21NO3/c1-22-15-8-6-14(7-9-15)18-16-4-2-3-5-17(16)19(23-18)10-12-20(21)13-11-19/h2-9,18,21H,10-13H2,1H3
InChIKey
YLLSCHUCIDOSDK-UHFFFAOYSA-N
Compound name
1'-hydroxy-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

311.15213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 173.0
[M+Na]+ 334.14135 180.0
[M-H]- 310.14485 180.4
[M+NH4]+ 329.18595 189.2
[M+K]+ 350.11529 176.2
[M+H-H2O]+ 294.14939 164.4
[M+HCOO]- 356.15033 188.6
[M+CH3COO]- 370.16598 183.6
[M+Na-2H]- 332.12680 176.5
[M]+ 311.15158 170.8
[M]- 311.15268 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe