CID 379310

Nsc663861

Structural Information

Molecular Formula
C17H24N2O
SMILES
CCC(C1=CC=CC=C1)C(=O)NC2CN3CCC2CC3
InChI
InChI=1S/C17H24N2O/c1-2-15(13-6-4-3-5-7-13)17(20)18-16-12-19-10-8-14(16)9-11-19/h3-7,14-16H,2,8-12H2,1H3,(H,18,20)
InChIKey
KCNMDNWIHLTXME-UHFFFAOYSA-N
Compound name
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 162.6
[M+Na]+ 295.17809 163.1
[M-H]- 271.18159 159.8
[M+NH4]+ 290.22269 180.9
[M+K]+ 311.15203 159.8
[M+H-H2O]+ 255.18613 155.1
[M+HCOO]- 317.18707 171.5
[M+CH3COO]- 331.20272 170.1
[M+Na-2H]- 293.16354 170.5
[M]+ 272.18832 161.1
[M]- 272.18942 161.1
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.