CID 493561

Chembl417227

Structural Information

Molecular Formula
C21H28N4O3
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)NC(=O)CNC(=O)CN)C
InChI
InChI=1S/C21H28N4O3/c1-5-16-14(4)24-21(28)20(25-19(27)11-23-18(26)10-22)17(16)9-15-7-12(2)6-13(3)8-15/h6-8H,5,9-11,22H2,1-4H3,(H,23,26)(H,24,28)(H,25,27)
InChIKey
LARRWOATVSWJNV-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]amino]-2-oxoethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.21616 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22344 196.7
[M+Na]+ 407.20538 202.6
[M-H]- 383.20888 200.8
[M+NH4]+ 402.24998 205.8
[M+K]+ 423.17932 197.5
[M+H-H2O]+ 367.21342 187.3
[M+HCOO]- 429.21436 217.3
[M+CH3COO]- 443.23001 230.4
[M+Na-2H]- 405.19083 194.1
[M]+ 384.21561 196.9
[M]- 384.21671 196.9
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.