CID 212622

Brn 0489514

Structural Information

Molecular Formula
C18H27N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CC3CCC2CC3
InChI
InChI=1S/C18H27N3O/c1-3-18(22)21(17-6-4-5-11-19-17)14(2)12-20-13-15-7-9-16(20)10-8-15/h4-6,11,14-16H,3,7-10,12-13H2,1-2H3
InChIKey
MSCWUNVWXCXYAV-UHFFFAOYSA-N
Compound name
N-[1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.21542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22270 169.4
[M+Na]+ 324.20464 178.8
[M+NH4]+ 319.24924 178.6
[M+K]+ 340.17858 171.8
[M-H]- 300.20814 169.2
[M+Na-2H]- 322.19009 168.8
[M]+ 301.21487 170.4
[M]- 301.21597 170.4
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.