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]+ 416.23326 205.0
[M+Na]+ 438.21520 210.1
[M-H]- 414.21870 211.0
[M+NH4]+ 433.25980 214.4
[M+K]+ 454.18914 201.3
[M+H-H2O]+ 398.22324 191.8
[M+HCOO]- 460.22418 216.0
[M+CH3COO]- 474.23983 211.3
[M+Na-2H]- 436.20065 203.9
[M]+ 415.22543 198.6
[M]- 415.22653 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.