CID 210980

22019-28-9

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 196.6
[M+Na]+ 394.17776 205.7
[M-H]- 370.18126 201.4
[M+NH4]+ 389.22236 209.5
[M+K]+ 410.15170 193.0
[M+H-H2O]+ 354.18580 180.7
[M+HCOO]- 416.18674 207.5
[M+CH3COO]- 430.20239 203.5
[M+Na-2H]- 392.16321 194.6
[M]+ 371.18799 187.6
[M]- 371.18909 187.6
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.