CID 454441

Chembl125510

Structural Information

Molecular Formula
C18H19N3O
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=CC3=CC=CC=C3N=C2)C
InChI
InChI=1S/C18H19N3O/c1-3-14-9-17(18(22)21-12(14)2)20-11-13-8-15-6-4-5-7-16(15)19-10-13/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKey
RJDHCISUIBFLAH-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-(quinolin-3-ylmethylamino)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.1528 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16008 170.2
[M+Na]+ 316.14202 179.1
[M-H]- 292.14552 174.1
[M+NH4]+ 311.18662 183.2
[M+K]+ 332.11596 172.1
[M+H-H2O]+ 276.15006 160.6
[M+HCOO]- 338.15100 190.1
[M+CH3COO]- 352.16665 180.8
[M+Na-2H]- 314.12747 176.4
[M]+ 293.15225 170.1
[M]- 293.15335 170.1
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.