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 172.1
[M+Na]+ 324.20464 172.0
[M-H]- 300.20814 168.9
[M+NH4]+ 319.24924 188.3
[M+K]+ 340.17858 169.8
[M+H-H2O]+ 284.21268 163.1
[M+HCOO]- 346.21362 179.7
[M+CH3COO]- 360.22927 178.8
[M+Na-2H]- 322.19009 178.7
[M]+ 301.21487 172.4
[M]- 301.21597 172.4
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.