CID 212620

Brn 0430667

Structural Information

Molecular Formula
C19H29N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CC3CCCC(C3)C2
InChI
InChI=1S/C19H29N3O/c1-3-19(23)22(18-9-4-5-10-20-18)15(2)12-21-13-16-7-6-8-17(11-16)14-21/h4-5,9-10,15-17H,3,6-8,11-14H2,1-2H3
InChIKey
ZJXQHXGNCYRTOI-UHFFFAOYSA-N
Compound name
N-[1-(3-azabicyclo[3.3.1]nonan-3-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.23105 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.238326 178.5
[M+Na]+ 338.220268 179.1
[M-H]- 314.223774 180.5
[M+NH4]+ 333.264873 191.1
[M+K]+ 354.194208 176.2
[M+H-H2O]+ 298.228310 168.1
[M+HCOO]- 360.229251 190.6
[M+CH3COO]- 374.244901 214.5
[M+Na-2H]- 336.205716 179.7
[M]+ 315.23050142 173.9
[M]- 315.23159858 173.9
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.