CID 481018

2-amino-n-[4-[(3,5-dimethylphenyl)methyl]-3-ethyl-2-methyl-6-oxo-2,3-dihydro-1h-pyridin-5-yl]acetamide

Structural Information

Molecular Formula
C19H27N3O2
SMILES
CCC1C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)NC(=O)CN)C
InChI
InChI=1S/C19H27N3O2/c1-5-15-13(4)21-19(24)18(22-17(23)10-20)16(15)9-14-7-11(2)6-12(3)8-14/h6-8,13,15H,5,9-10,20H2,1-4H3,(H,21,24)(H,22,23)
InChIKey
AYFUDNPPURTHTF-UHFFFAOYSA-N
Compound name
2-amino-N-[4-[(3,5-dimethylphenyl)methyl]-3-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.21033 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.21761 183.3
[M+Na]+ 352.19955 189.4
[M-H]- 328.20305 187.0
[M+NH4]+ 347.24415 195.2
[M+K]+ 368.17349 184.1
[M+H-H2O]+ 312.20759 175.0
[M+HCOO]- 374.20853 201.4
[M+CH3COO]- 388.22418 217.7
[M+Na-2H]- 350.18500 180.6
[M]+ 329.20978 180.7
[M]- 329.21088 180.7
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.