CID 453440

135525-73-4

Structural Information

Molecular Formula
C18H19NO2
SMILES
CCC1=C(NC(=O)C(=C1)CCC2=CC3=CC=CC=C3O2)C
InChI
InChI=1S/C18H19NO2/c1-3-13-10-15(18(20)19-12(13)2)8-9-16-11-14-6-4-5-7-17(14)21-16/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,20)
InChIKey
SJASAUDWUFJISL-UHFFFAOYSA-N
Compound name
3-[2-(1-benzofuran-2-yl)ethyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

281.14157 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 165.3
[M+Na]+ 304.13079 176.2
[M-H]- 280.13429 172.0
[M+NH4]+ 299.17539 181.5
[M+K]+ 320.10473 171.1
[M+H-H2O]+ 264.13883 157.9
[M+HCOO]- 326.13977 187.2
[M+CH3COO]- 340.15542 178.1
[M+Na-2H]- 302.11624 169.8
[M]+ 281.14102 169.8
[M]- 281.14212 169.8
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

patents stripe