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 162.2
[M+Na]+ 295.10532 169.9
[M-H]- 271.10882 165.5
[M+NH4]+ 290.14992 179.2
[M+K]+ 311.07926 166.1
[M+H-H2O]+ 255.11336 154.5
[M+HCOO]- 317.11430 178.3
[M+CH3COO]- 331.12995 199.1
[M+Na-2H]- 293.09077 163.1
[M]+ 272.11555 161.4
[M]- 272.11665 161.5
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.