CID 3046181

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

Structural Information

Molecular Formula
C18H19NO2
SMILES
C1CN(CCC12C3=CC=CC=C3C(O2)C4=CC=CC=C4)O
InChI
InChI=1S/C18H19NO2/c20-19-12-10-18(11-13-19)16-9-5-4-8-15(16)17(21-18)14-6-2-1-3-7-14/h1-9,17,20H,10-13H2
InChIKey
GMKGNDHDYWUCBK-UHFFFAOYSA-N
Compound name
1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

281.14157 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 165.3
[M+Na]+ 304.13079 172.1
[M-H]- 280.13429 172.6
[M+NH4]+ 299.17539 182.5
[M+K]+ 320.10473 167.7
[M+H-H2O]+ 264.13883 156.8
[M+HCOO]- 326.13977 181.2
[M+CH3COO]- 340.15542 176.2
[M+Na-2H]- 302.11624 169.8
[M]+ 281.14102 160.9
[M]- 281.14212 160.9
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