CID 16720331

Kbh-a42

Structural Information

Molecular Formula
C17H22N2O3
SMILES
C1CN(C(=O)C(=C1)CCC(=O)NO)CCCC2=CC=CC=C2
InChI
InChI=1S/C17H22N2O3/c20-16(18-22)11-10-15-9-5-13-19(17(15)21)12-4-8-14-6-2-1-3-7-14/h1-3,6-7,9,22H,4-5,8,10-13H2,(H,18,20)
InChIKey
QVZVOPUKMAJJHD-UHFFFAOYSA-N
Compound name
N-hydroxy-3-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

14
Patents

302.16306 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 173.2
[M+Na]+ 325.15228 183.7
[M+NH4]+ 320.19688 179.1
[M+K]+ 341.12622 177.2
[M-H]- 301.15578 175.6
[M+Na-2H]- 323.13773 178.5
[M]+ 302.16251 175.0
[M]- 302.16361 175.0
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