CID 297017

1,3,8-triazaspiro(4.5)decan-4-one, 8-(2-(2-benzofuranyl)ethyl)-3-methyl-1-phenyl-

Structural Information

Molecular Formula
C24H27N3O2
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCC3=CC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C24H27N3O2/c1-25-18-27(20-8-3-2-4-9-20)24(23(25)28)12-15-26(16-13-24)14-11-21-17-19-7-5-6-10-22(19)29-21/h2-10,17H,11-16,18H2,1H3
InChIKey
OWLPADOZBKAFJS-UHFFFAOYSA-N
Compound name
8-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.21033 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21761 195.7
[M+Na]+ 412.19955 203.2
[M-H]- 388.20305 205.0
[M+NH4]+ 407.24415 208.0
[M+K]+ 428.17349 197.3
[M+H-H2O]+ 372.20759 184.3
[M+HCOO]- 434.20853 210.4
[M+CH3COO]- 448.22418 204.7
[M+Na-2H]- 410.18500 194.1
[M]+ 389.20978 194.3
[M]- 389.21088 194.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.