CID 3012784

Chembl187513

Structural Information

Molecular Formula
C19H27N3O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=C(C=C2)N(C)C)N(C)C)C
InChI
InChI=1S/C19H27N3O/c1-7-16-13(2)20-19(23)18(22(5)6)17(16)12-14-8-10-15(11-9-14)21(3)4/h8-11H,7,12H2,1-6H3,(H,20,23)
InChIKey
WWARNQCJBGNISD-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.21542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22270 177.8
[M+Na]+ 336.20464 185.2
[M-H]- 312.20814 185.1
[M+NH4]+ 331.24924 191.9
[M+K]+ 352.17858 181.9
[M+H-H2O]+ 296.21268 168.7
[M+HCOO]- 358.21362 201.0
[M+CH3COO]- 372.22927 221.0
[M+Na-2H]- 334.19009 178.4
[M]+ 313.21487 181.1
[M]- 313.21597 181.1
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.