CID 481021

Chembl129115

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CCC1=C(NC(=O)C(=C1C(C)(C2=CC(=CC(=C2)C)C)O)NC(=O)C(C)(C)C)C
InChI
InChI=1S/C23H32N2O3/c1-9-17-15(4)24-20(26)19(25-21(27)22(5,6)7)18(17)23(8,28)16-11-13(2)10-14(3)12-16/h10-12,28H,9H2,1-8H3,(H,24,26)(H,25,27)
InChIKey
JBTJTBYBSVJKAA-UHFFFAOYSA-N
Compound name
N-[4-[1-(3,5-dimethylphenyl)-1-hydroxyethyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.2413 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 195.9
[M+Na]+ 407.23052 203.1
[M-H]- 383.23402 199.5
[M+NH4]+ 402.27512 205.8
[M+K]+ 423.20446 198.2
[M+H-H2O]+ 367.23856 188.6
[M+HCOO]- 429.23950 210.6
[M+CH3COO]- 443.25515 224.4
[M+Na-2H]- 405.21597 195.6
[M]+ 384.24075 197.8
[M]- 384.24185 197.8
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.