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]+ 304.16960 177.1
[M+Na]+ 326.15154 191.1
[M+NH4]+ 321.19614 184.4
[M+K]+ 342.12548 178.6
[M-H]- 302.15504 175.7
[M+Na-2H]- 324.13699 181.8
[M]+ 303.16177 178.2
[M]- 303.16287 178.2
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