CID 272011

9-benzyl-3,9-diazaspiro[5.5]undecane-2,4-dione

Structural Information

Molecular Formula
C16H20N2O2
SMILES
C1CN(CCC12CC(=O)NC(=O)C2)CC3=CC=CC=C3
InChI
InChI=1S/C16H20N2O2/c19-14-10-16(11-15(20)17-14)6-8-18(9-7-16)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,17,19,20)
InChIKey
MZOUQZZYZKEBKL-UHFFFAOYSA-N
Compound name
9-benzyl-3,9-diazaspiro[5.5]undecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

272.15247 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.159746 166.2
[M+Na]+ 295.141688 170.6
[M-H]- 271.145194 169.4
[M+NH4]+ 290.186293 180.4
[M+K]+ 311.115628 165.5
[M+H-H2O]+ 255.149730 156.4
[M+HCOO]- 317.150671 179.1
[M+CH3COO]- 331.166321 174.9
[M+Na-2H]- 293.127136 169.1
[M]+ 272.15192142 157.0
[M]- 272.15301858 157.0
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

patents stripe