CID 486923

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

Structural Information

Molecular Formula
C19H27N3O
SMILES
CCC1=C(NC(=O)C(=C1CN(C)CC2=CC=CC=C2)N(C)C)C
InChI
InChI=1S/C19H27N3O/c1-6-16-14(2)20-19(23)18(21(3)4)17(16)13-22(5)12-15-10-8-7-9-11-15/h7-11H,6,12-13H2,1-5H3,(H,20,23)
InChIKey
AZLLFVCVMUJBEW-UHFFFAOYSA-N
Compound name
4-[[benzyl(methyl)amino]methyl]-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.21542 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22270 178.0
[M+Na]+ 336.20464 184.4
[M-H]- 312.20814 184.9
[M+NH4]+ 331.24924 191.8
[M+K]+ 352.17858 181.1
[M+H-H2O]+ 296.21268 168.5
[M+HCOO]- 358.21362 201.2
[M+CH3COO]- 372.22927 219.8
[M+Na-2H]- 334.19009 179.3
[M]+ 313.21487 180.8
[M]- 313.21597 180.8
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.