CID 118219

35142-71-3

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CCC(=O)N1C2CCC1C(=O)N(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C15H16N2O3/c1-2-13(18)17-11-8-9-12(17)15(20)16(14(11)19)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
InChIKey
JBSDYSSKUBAYBU-UHFFFAOYSA-N
Compound name
3-phenyl-8-propanoyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 162.7
[M+Na]+ 295.10532 174.0
[M+NH4]+ 290.14992 169.7
[M+K]+ 311.07926 170.0
[M-H]- 271.10882 163.4
[M+Na-2H]- 293.09077 165.1
[M]+ 272.11555 164.2
[M]- 272.11665 164.2
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.