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]+ 316.23833 179.5
[M+Na]+ 338.22027 180.8
[M-H]- 314.22377 183.6
[M+NH4]+ 333.26487 193.5
[M+K]+ 354.19421 178.0
[M+H-H2O]+ 298.22831 169.4
[M+HCOO]- 360.22925 194.1
[M+CH3COO]- 374.24490 212.8
[M+Na-2H]- 336.20572 177.9
[M]+ 315.23050 175.3
[M]- 315.23160 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.