CID 486950

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

Structural Information

Molecular Formula
C20H29N3O
SMILES
CCC1=C(NC(=O)C(=C1CN(C)C2=CC(=CC(=C2)C)C)N(C)C)C
InChI
InChI=1S/C20H29N3O/c1-8-17-15(4)21-20(24)19(22(5)6)18(17)12-23(7)16-10-13(2)9-14(3)11-16/h9-11H,8,12H2,1-7H3,(H,21,24)
InChIKey
DJBVBYZCEOIDEU-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[(N,3,5-trimethylanilino)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.23105 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.23833 182.1
[M+Na]+ 350.22027 190.0
[M-H]- 326.22377 189.7
[M+NH4]+ 345.26487 196.0
[M+K]+ 366.19421 186.6
[M+H-H2O]+ 310.22831 173.1
[M+HCOO]- 372.22925 205.0
[M+CH3COO]- 386.24490 225.3
[M+Na-2H]- 348.20572 181.5
[M]+ 327.23050 186.2
[M]- 327.23160 186.2
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.