CID 90335

N-benzyl-3-benzyloxy-2-pyridone

Structural Information

Molecular Formula
C19H17NO2
SMILES
C1=CC=C(C=C1)CN2C=CC=C(C2=O)OCC3=CC=CC=C3
InChI
InChI=1S/C19H17NO2/c21-19-18(22-15-17-10-5-2-6-11-17)12-7-13-20(19)14-16-8-3-1-4-9-16/h1-13H,14-15H2
InChIKey
HMLBFYRJCGMNTI-UHFFFAOYSA-N
Compound name
1-benzyl-3-phenylmethoxypyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

31
Patents

291.12592 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.133196 167.7
[M+Na]+ 314.115138 175.4
[M-H]- 290.118644 175.9
[M+NH4]+ 309.159743 181.1
[M+K]+ 330.089078 169.9
[M+H-H2O]+ 274.123180 157.5
[M+HCOO]- 336.124121 190.8
[M+CH3COO]- 350.139771 179.3
[M+Na-2H]- 312.100586 173.9
[M]+ 291.12537142 168.9
[M]- 291.12646858 168.9
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