CID 210980

1,3-indandione, 2-benzyl-2-(4-piperidino-2-butynyl)-, hydrochloride

Structural Information

Molecular Formula
C25H25NO2
SMILES
C1CCN(CC1)CC#CCC2(C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4
InChI
InChI=1S/C25H25NO2/c27-23-21-13-5-6-14-22(21)24(28)25(23,19-20-11-3-1-4-12-20)15-7-10-18-26-16-8-2-9-17-26/h1,3-6,11-14H,2,8-9,15-19H2
InChIKey
LBNBETGOMAXXNL-UHFFFAOYSA-N
Compound name
2-benzyl-2-(4-piperidin-1-ylbut-2-ynyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.18854 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19582 194.7
[M+Na]+ 394.17776 207.5
[M+NH4]+ 389.22236 200.4
[M+K]+ 410.15170 194.5
[M-H]- 370.18126 191.7
[M+Na-2H]- 392.16321 198.9
[M]+ 371.18799 195.0
[M]- 371.18909 195.0
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.