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]+ 390.217606 195.7
[M+Na]+ 412.199548 203.2
[M-H]- 388.203054 205.0
[M+NH4]+ 407.244153 208.0
[M+K]+ 428.173488 197.3
[M+H-H2O]+ 372.207590 184.3
[M+HCOO]- 434.208531 210.4
[M+CH3COO]- 448.224181 204.7
[M+Na-2H]- 410.184996 194.1
[M]+ 389.20978142 194.3
[M]- 389.21087858 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.