CID 380043

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

Structural Information

Molecular Formula
C24H29N3O3
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCC3COC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C24H29N3O3/c1-25-18-27(19-7-3-2-4-8-19)24(23(25)28)12-15-26(16-13-24)14-11-20-17-29-21-9-5-6-10-22(21)30-20/h2-10,20H,11-18H2,1H3
InChIKey
VTJGTOAUDCODNK-UHFFFAOYSA-N
Compound name
8-[2-(2,3-dihydro-1,4-benzodioxin-3-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

0
References

0
Patents

407.2209 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.22818 201.8
[M+Na]+ 430.21012 215.4
[M+NH4]+ 425.25472 210.4
[M+K]+ 446.18406 207.6
[M-H]- 406.21362 210.1
[M+Na-2H]- 428.19557 207.8
[M]+ 407.22035 206.3
[M]- 407.22145 206.3
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.