CID 212622

24606-60-8

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]+ 302.222696 172.1
[M+Na]+ 324.204638 172.0
[M-H]- 300.208144 168.9
[M+NH4]+ 319.249243 188.3
[M+K]+ 340.178578 169.8
[M+H-H2O]+ 284.212680 163.1
[M+HCOO]- 346.213621 179.7
[M+CH3COO]- 360.229271 178.8
[M+Na-2H]- 322.190086 178.7
[M]+ 301.21487142 172.4
[M]- 301.21596858 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

literature stripe

Patent stripe

No patent data available for this compound.