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]+ 358.18016 192.9
[M+Na]+ 380.16210 202.3
[M-H]- 356.16560 197.9
[M+NH4]+ 375.20670 206.3
[M+K]+ 396.13604 189.8
[M+H-H2O]+ 340.17014 177.1
[M+HCOO]- 402.17108 204.0
[M+CH3COO]- 416.18673 200.1
[M+Na-2H]- 378.14755 191.3
[M]+ 357.17233 183.5
[M]- 357.17343 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.