CID 454453

Bdbm1330

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=C(C3=CC=CC=C3O2)C)C
InChI
InChI=1S/C18H20N2O2/c1-4-13-9-15(18(21)20-12(13)3)19-10-17-11(2)14-7-5-6-8-16(14)22-17/h5-9,19H,4,10H2,1-3H3,(H,20,21)
InChIKey
KLKSFVIBCQIWBL-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-[(3-methyl-1-benzofuran-2-yl)methylamino]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.15247 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 170.0
[M+Na]+ 319.14169 180.8
[M-H]- 295.14519 177.0
[M+NH4]+ 314.18629 185.4
[M+K]+ 335.11563 175.7
[M+H-H2O]+ 279.14973 162.3
[M+HCOO]- 341.15067 192.8
[M+CH3COO]- 355.16632 182.5
[M+Na-2H]- 317.12714 174.2
[M]+ 296.15192 174.2
[M]- 296.15302 174.2
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.