CID 508413

Schembl6281445

Structural Information

Molecular Formula
C28H34N2O2
SMILES
C1CCC(CC1)C2=CC3=C(C=C2)N(C(=O)C3=O)CCC4CCN(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C28H34N2O2/c31-27-25-19-24(23-9-5-2-6-10-23)11-12-26(25)30(28(27)32)18-15-21-13-16-29(17-14-21)20-22-7-3-1-4-8-22/h1,3-4,7-8,11-12,19,21,23H,2,5-6,9-10,13-18,20H2
InChIKey
FBPDWXJUQMMZPX-UHFFFAOYSA-N
Compound name
1-[2-(1-benzylpiperidin-4-yl)ethyl]-5-cyclohexylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

430.26202 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.269296 210.2
[M+Na]+ 453.251238 211.8
[M-H]- 429.254744 218.4
[M+NH4]+ 448.295843 218.4
[M+K]+ 469.225178 204.0
[M+H-H2O]+ 413.259280 197.3
[M+HCOO]- 475.260221 220.4
[M+CH3COO]- 489.275871 215.7
[M+Na-2H]- 451.236686 204.2
[M]+ 430.26147142 202.0
[M]- 430.26256858 202.0
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

patents stripe