CID 481008

Chembl337616

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC(=C2)C)C)NC(=O)C(C)(C)C)C
InChI
InChI=1S/C22H28N2O3/c1-8-16-14(4)23-20(26)18(24-21(27)22(5,6)7)17(16)19(25)15-10-12(2)9-13(3)11-15/h9-11H,8H2,1-7H3,(H,23,26)(H,24,27)
InChIKey
YWWCMBKHWXKAQM-UHFFFAOYSA-N
Compound name
N-[4-(3,5-dimethylbenzoyl)-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

368.21 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 189.7
[M+Na]+ 391.19922 197.5
[M-H]- 367.20272 194.6
[M+NH4]+ 386.24382 200.7
[M+K]+ 407.17316 192.9
[M+H-H2O]+ 351.20726 181.8
[M+HCOO]- 413.20820 207.1
[M+CH3COO]- 427.22385 223.3
[M+Na-2H]- 389.18467 188.1
[M]+ 368.20945 192.3
[M]- 368.21055 192.3
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.