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 195.6
[M+Na]+ 416.19445 201.5
[M-H]- 392.19795 204.8
[M+NH4]+ 411.23905 206.1
[M+K]+ 432.16839 197.9
[M+H-H2O]+ 376.20249 184.8
[M+HCOO]- 438.20343 207.0
[M+CH3COO]- 452.21908 203.9
[M+Na-2H]- 414.17990 193.0
[M]+ 393.20468 193.0
[M]- 393.20578 193.0
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.