CID 487011

Chembl175692

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=CC(=C2)C)N(C)CCCO)C
InChI
InChI=1S/C20H28N2O2/c1-5-17-15(3)21-20(24)19(22(4)10-7-11-23)18(17)13-16-9-6-8-14(2)12-16/h6,8-9,12,23H,5,7,10-11,13H2,1-4H3,(H,21,24)
InChIKey
BEQOWVUOJYDODX-UHFFFAOYSA-N
Compound name
5-ethyl-3-[3-hydroxypropyl(methyl)amino]-6-methyl-4-[(3-methylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

328.2151 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 181.8
[M+Na]+ 351.20432 188.9
[M-H]- 327.20782 186.1
[M+NH4]+ 346.24892 194.2
[M+K]+ 367.17826 183.7
[M+H-H2O]+ 311.21236 173.0
[M+HCOO]- 373.21330 201.8
[M+CH3COO]- 387.22895 215.3
[M+Na-2H]- 349.18977 181.7
[M]+ 328.21455 184.4
[M]- 328.21565 184.4
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.