CID 3045898

3-phenyl-1'-(2-propynyl)spiro(isobenzofuran-1(3h),4'-piperidine)

Structural Information

Molecular Formula
C21H21NO
SMILES
C#CCN1CCC2(CC1)C3=CC=CC=C3C(O2)C4=CC=CC=C4
InChI
InChI=1S/C21H21NO/c1-2-14-22-15-12-21(13-16-22)19-11-7-6-10-18(19)20(23-21)17-8-4-3-5-9-17/h1,3-11,20H,12-16H2
InChIKey
YSUMOYKBXHKNMK-UHFFFAOYSA-N
Compound name
1-phenyl-1'-prop-2-ynylspiro[1H-2-benzofuran-3,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

303.16232 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.169596 175.0
[M+Na]+ 326.151538 185.3
[M-H]- 302.155044 179.8
[M+NH4]+ 321.196143 189.8
[M+K]+ 342.125478 174.5
[M+H-H2O]+ 286.159580 159.8
[M+HCOO]- 348.160521 185.9
[M+CH3COO]- 362.176171 183.6
[M+Na-2H]- 324.136986 176.7
[M]+ 303.16177142 165.9
[M]- 303.16286858 165.9
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

patents stripe