CID 3041495

N-(1-methyl-2-(octahydro-2h-2-pyrindin-2-yl)ethyl)-n-2-pyridinylpropanamide

Structural Information

Molecular Formula
C19H29N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCC3CCCC3C2
InChI
InChI=1S/C19H29N3O/c1-3-19(23)22(18-9-4-5-11-20-18)15(2)13-21-12-10-16-7-6-8-17(16)14-21/h4-5,9,11,15-17H,3,6-8,10,12-14H2,1-2H3
InChIKey
UNYYFPLDFNGOEZ-UHFFFAOYSA-N
Compound name
N-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-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

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.238326 179.5
[M+Na]+ 338.220268 180.8
[M-H]- 314.223774 183.6
[M+NH4]+ 333.264873 193.5
[M+K]+ 354.194208 178.0
[M+H-H2O]+ 298.228310 169.4
[M+HCOO]- 360.229251 194.1
[M+CH3COO]- 374.244901 212.8
[M+Na-2H]- 336.205716 177.9
[M]+ 315.23050142 175.3
[M]- 315.23159858 175.3
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.