CID 3063794

3,9-diazaspiro(5.5)undecane-2,4-dione, 9-benzyl-3-(2-(3-indolyl)ethyl)-

Structural Information

Molecular Formula
C26H29N3O2
SMILES
C1CN(CCC12CC(=O)N(C(=O)C2)CCC3=CNC4=CC=CC=C43)CC5=CC=CC=C5
InChI
InChI=1S/C26H29N3O2/c30-24-16-26(11-14-28(15-12-26)19-20-6-2-1-3-7-20)17-25(31)29(24)13-10-21-18-27-23-9-5-4-8-22(21)23/h1-9,18,27H,10-17,19H2
InChIKey
WTWNAEDKEHDZLN-UHFFFAOYSA-N
Compound name
9-benzyl-3-[2-(1H-indol-3-yl)ethyl]-3,9-diazaspiro[5.5]undecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.22598 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.233256 205.0
[M+Na]+ 438.215198 210.1
[M-H]- 414.218704 211.0
[M+NH4]+ 433.259803 214.4
[M+K]+ 454.189138 201.3
[M+H-H2O]+ 398.223240 191.8
[M+HCOO]- 460.224181 216.0
[M+CH3COO]- 474.239831 211.3
[M+Na-2H]- 436.200646 203.9
[M]+ 415.22543142 198.6
[M]- 415.22652858 198.6
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.