CID 210968

22019-17-6

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]+ 358.180156 192.9
[M+Na]+ 380.162098 202.3
[M-H]- 356.165604 197.9
[M+NH4]+ 375.206703 206.3
[M+K]+ 396.136038 189.8
[M+H-H2O]+ 340.170140 177.1
[M+HCOO]- 402.171081 204.0
[M+CH3COO]- 416.186731 200.1
[M+Na-2H]- 378.147546 191.3
[M]+ 357.17233142 183.5
[M]- 357.17342858 183.5
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.