CID 297071

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

Structural Information

Molecular Formula
C23H27N3O3
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCC3OC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C23H27N3O3/c1-24-17-26(18-7-3-2-4-8-18)23(22(24)27)12-15-25(16-13-23)14-11-21-28-19-9-5-6-10-20(19)29-21/h2-10,21H,11-17H2,1H3
InChIKey
HZFXAHWXSCQDKG-UHFFFAOYSA-N
Compound name
8-[2-(1,3-benzodioxol-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

0
References

0
Patents

393.20523 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 195.5
[M+Na]+ 416.19445 208.3
[M+NH4]+ 411.23905 204.1
[M+K]+ 432.16839 203.1
[M-H]- 392.19795 203.2
[M+Na-2H]- 414.17990 201.1
[M]+ 393.20468 199.6
[M]- 393.20578 199.6
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.