CID 45838

63978-11-0

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CCC(=O)N1C2CCC1CN(C2)CCC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H24N2O2/c1-2-18(22)20-15-8-9-16(20)13-19(12-15)11-10-17(21)14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3
InChIKey
JFGILDJCNBOAGG-UHFFFAOYSA-N
Compound name
1-phenyl-3-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.18378 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 173.6
[M+Na]+ 323.17300 183.6
[M+NH4]+ 318.21760 180.8
[M+K]+ 339.14694 178.8
[M-H]- 299.17650 174.6
[M+Na-2H]- 321.15845 175.9
[M]+ 300.18323 175.0
[M]- 300.18433 175.0
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.