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]+ 314.222696 177.8
[M+Na]+ 336.204638 185.2
[M-H]- 312.208144 185.1
[M+NH4]+ 331.249243 191.9
[M+K]+ 352.178578 181.9
[M+H-H2O]+ 296.212680 168.7
[M+HCOO]- 358.213621 201.0
[M+CH3COO]- 372.229271 221.0
[M+Na-2H]- 334.190086 178.4
[M]+ 313.21487142 181.1
[M]- 313.21596858 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.