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]+ 314.222696 178.0
[M+Na]+ 336.204638 184.4
[M-H]- 312.208144 184.9
[M+NH4]+ 331.249243 191.8
[M+K]+ 352.178578 181.1
[M+H-H2O]+ 296.212680 168.5
[M+HCOO]- 358.213621 201.2
[M+CH3COO]- 372.229271 219.8
[M+Na-2H]- 334.190086 179.3
[M]+ 313.21487142 180.8
[M]- 313.21596858 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.