CID 486942

Chembl176107

Structural Information

Molecular Formula
C23H34N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)N(C)CCCCCO)C
InChI
InChI=1S/C23H34N2O2/c1-6-20-18(4)24-23(27)22(25(5)10-8-7-9-11-26)21(20)15-19-13-16(2)12-17(3)14-19/h12-14,26H,6-11,15H2,1-5H3,(H,24,27)
InChIKey
OPOMYANLMWFFAL-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-[5-hydroxypentyl(methyl)amino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

370.26202 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.26930 195.1
[M+Na]+ 393.25124 201.8
[M-H]- 369.25474 199.2
[M+NH4]+ 388.29584 206.1
[M+K]+ 409.22518 196.1
[M+H-H2O]+ 353.25928 186.0
[M+HCOO]- 415.26022 214.0
[M+CH3COO]- 429.27587 225.5
[M+Na-2H]- 391.23669 192.7
[M]+ 370.26147 199.2
[M]- 370.26257 199.2
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.