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 174.4
[M+Na]+ 323.17300 178.5
[M-H]- 299.17650 176.4
[M+NH4]+ 318.21760 189.7
[M+K]+ 339.14694 174.4
[M+H-H2O]+ 283.18104 165.7
[M+HCOO]- 345.18198 188.1
[M+CH3COO]- 359.19763 205.1
[M+Na-2H]- 321.15845 173.8
[M]+ 300.18323 172.5
[M]- 300.18433 172.5
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.