CID 486941

3-(dimethylamino)-5-ethyl-4-[(3-hydroxyphenyl)methyl]-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC=C2)O)N(C)C)C
InChI
InChI=1S/C17H22N2O2/c1-5-14-11(2)18-17(21)16(19(3)4)15(14)10-12-7-6-8-13(20)9-12/h6-9,20H,5,10H2,1-4H3,(H,18,21)
InChIKey
BXNLJAQFQGXDAB-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-4-[(3-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 168.1
[M+Na]+ 309.15734 176.6
[M-H]- 285.16084 173.0
[M+NH4]+ 304.20194 182.3
[M+K]+ 325.13128 172.1
[M+H-H2O]+ 269.16538 160.0
[M+HCOO]- 331.16632 189.2
[M+CH3COO]- 345.18197 206.3
[M+Na-2H]- 307.14279 169.7
[M]+ 286.16757 169.7
[M]- 286.16867 169.7
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.