CID 493560

Chembl57929

Structural Information

Molecular Formula
C27H41N3O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)NC(=O)CCCCCCCCCN)C
InChI
InChI=1S/C27H41N3O2/c1-5-23-21(4)29-27(32)26(24(23)18-22-16-19(2)15-20(3)17-22)30-25(31)13-11-9-7-6-8-10-12-14-28/h15-17H,5-14,18,28H2,1-4H3,(H,29,32)(H,30,31)
InChIKey
NLULQTPWLYENNP-UHFFFAOYSA-N
Compound name
10-amino-N-[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.3199 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.32718 216.6
[M+Na]+ 462.30912 220.9
[M-H]- 438.31262 219.3
[M+NH4]+ 457.35372 224.0
[M+K]+ 478.28306 213.5
[M+H-H2O]+ 422.31716 206.4
[M+HCOO]- 484.31810 234.7
[M+CH3COO]- 498.33375 240.7
[M+Na-2H]- 460.29457 211.6
[M]+ 439.31935 219.5
[M]- 439.32045 219.5
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.