CID 115606

63990-48-7

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]+ 273.19615 168.0
[M+Na]+ 295.17809 172.7
[M-H]- 271.18159 170.1
[M+NH4]+ 290.22269 184.7
[M+K]+ 311.15203 168.3
[M+H-H2O]+ 255.18613 159.3
[M+HCOO]- 317.18707 182.7
[M+CH3COO]- 331.20272 200.0
[M+Na-2H]- 293.16354 168.8
[M]+ 272.18832 165.6
[M]- 272.18942 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.