CID 297074

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

Structural Information

Molecular Formula
C23H27N3O3
SMILES
CC1(OC2=CC=CC=C2O1)CCN3CCC4(CC3)C(=O)NCN4C5=CC=CC=C5
InChI
InChI=1S/C23H27N3O3/c1-22(28-19-9-5-6-10-20(19)29-22)11-14-25-15-12-23(13-16-25)21(27)24-17-26(23)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,24,27)
InChIKey
KWCXGJMFODHVGL-UHFFFAOYSA-N
Compound name
8-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-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

393.20523 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 194.5
[M+Na]+ 416.19445 206.4
[M+NH4]+ 411.23905 204.1
[M+K]+ 432.16839 199.7
[M-H]- 392.19795 201.5
[M+Na-2H]- 414.17990 201.1
[M]+ 393.20468 198.4
[M]- 393.20578 198.4
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.