CID 3038431

Trans-n-(2,5-dimethylphenyl)octahydro-1h-pyrindine-1-propanamide oxalate

Structural Information

Molecular Formula
C19H28N2O
SMILES
CC1=CC(=C(C=C1)C)NC(=O)CCN2CCC[C@@H]3[C@@H]2CCC3
InChI
InChI=1S/C19H28N2O/c1-14-8-9-15(2)17(13-14)20-19(22)10-12-21-11-4-6-16-5-3-7-18(16)21/h8-9,13,16,18H,3-7,10-12H2,1-2H3,(H,20,22)/t16-,18+/m1/s1
InChIKey
LJLZKFPVUKXSFH-AEFFLSMTSA-N
Compound name
3-[(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-N-(2,5-dimethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 175.7
[M+Na]+ 323.20937 185.7
[M+NH4]+ 318.25397 184.0
[M+K]+ 339.18331 179.9
[M-H]- 299.21287 179.7
[M+Na-2H]- 321.19482 179.7
[M]+ 300.21960 178.0
[M]- 300.22070 178.0
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.