CID 3011695

5-ethyl-3-iodo-6-methyl-4-phenoxy-1h-pyridin-2-one

Structural Information

Molecular Formula
C14H14INO2
SMILES
CCC1=C(NC(=O)C(=C1OC2=CC=CC=C2)I)C
InChI
InChI=1S/C14H14INO2/c1-3-11-9(2)16-14(17)12(15)13(11)18-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,16,17)
InChIKey
WNSAULXOYQMRQI-UHFFFAOYSA-N
Compound name
5-ethyl-3-iodo-6-methyl-4-phenoxy-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.00693 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.01421 162.9
[M+Na]+ 377.99615 165.4
[M-H]- 353.99965 160.4
[M+NH4]+ 373.04075 173.9
[M+K]+ 393.97009 166.7
[M+H-H2O]+ 338.00419 151.6
[M+HCOO]- 400.00513 179.6
[M+CH3COO]- 414.02078 200.7
[M+Na-2H]- 375.98160 155.3
[M]+ 355.00638 161.6
[M]- 355.00748 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.