CID 486868

Chembl185622

Structural Information

Molecular Formula
C16H21N3O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CN=CC=C2)N(C)C)C
InChI
InChI=1S/C16H21N3O/c1-5-13-11(2)18-16(20)15(19(3)4)14(13)9-12-7-6-8-17-10-12/h6-8,10H,5,9H2,1-4H3,(H,18,20)
InChIKey
GGQHFKFVGKBRAL-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-(pyridin-3-ylmethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.16846 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 165.1
[M+Na]+ 294.15768 173.7
[M-H]- 270.16118 169.7
[M+NH4]+ 289.20228 179.0
[M+K]+ 310.13162 169.2
[M+H-H2O]+ 254.16572 155.9
[M+HCOO]- 316.16666 186.5
[M+CH3COO]- 330.18231 205.1
[M+Na-2H]- 292.14313 168.5
[M]+ 271.16791 166.9
[M]- 271.16901 166.9
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.