CID 14157539

Homoclausenamide

Structural Information

Molecular Formula
C18H17NO2
SMILES
CN1C=C(C(C(C1=O)O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO2/c1-19-12-15(13-8-4-2-5-9-13)16(17(20)18(19)21)14-10-6-3-7-11-14/h2-12,16-17,20H,1H3
InChIKey
INMHUVDZWKKAOF-UHFFFAOYSA-N
Compound name
3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

279.12592 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 166.3
[M+Na]+ 302.11514 182.5
[M+NH4]+ 297.15974 174.8
[M+K]+ 318.08908 173.9
[M-H]- 278.11864 172.5
[M+Na-2H]- 300.10059 176.4
[M]+ 279.12537 170.5
[M]- 279.12647 170.5
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