CID 210968

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

Structural Information

Molecular Formula
C24H23NO2
SMILES
C1CCN(CC1)CC#CCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C24H23NO2/c26-22-20-13-5-6-14-21(20)23(27)24(22,19-11-3-1-4-12-19)15-7-10-18-25-16-8-2-9-17-25/h1,3-6,11-14H,2,8-9,15-18H2
InChIKey
DDIYMPIANLOMCA-UHFFFAOYSA-N
Compound name
2-phenyl-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

357.17288 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18016 190.7
[M+Na]+ 380.16210 203.7
[M+NH4]+ 375.20670 196.5
[M+K]+ 396.13604 190.9
[M-H]- 356.16560 187.7
[M+Na-2H]- 378.14755 195.1
[M]+ 357.17233 191.0
[M]- 357.17343 191.0
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.