CID 115606

Brn 0533128

Structural Information

Molecular Formula
C17H24N2O
SMILES
CCC(=O)N1C2CCC1CN(C2)CCC3=CC=CC=C3
InChI
InChI=1S/C17H24N2O/c1-2-17(20)19-15-8-9-16(19)13-18(12-15)11-10-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3
InChIKey
YBZJPJLESWJLTK-UHFFFAOYSA-N
Compound name
1-[3-(2-phenylethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 168.0
[M+Na]+ 295.178088 172.7
[M-H]- 271.181594 170.1
[M+NH4]+ 290.222693 184.7
[M+K]+ 311.152028 168.3
[M+H-H2O]+ 255.186130 159.3
[M+HCOO]- 317.187071 182.7
[M+CH3COO]- 331.202721 200.0
[M+Na-2H]- 293.163536 168.8
[M]+ 272.18832142 165.6
[M]- 272.18941858 165.6
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.