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

10
Patents

430.26202 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.26930 210.2
[M+Na]+ 453.25124 211.8
[M-H]- 429.25474 218.4
[M+NH4]+ 448.29584 218.4
[M+K]+ 469.22518 204.0
[M+H-H2O]+ 413.25928 197.3
[M+HCOO]- 475.26022 220.4
[M+CH3COO]- 489.27587 215.7
[M+Na-2H]- 451.23669 204.2
[M]+ 430.26147 202.0
[M]- 430.26257 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