CID 3011696

5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1h-pyridin-2-one

Structural Information

Molecular Formula
C15H16INO2
SMILES
CCC1=C(NC(=O)C(=C1OC2=CC=CC(=C2)C)I)C
InChI
InChI=1S/C15H16INO2/c1-4-12-10(3)17-15(18)13(16)14(12)19-11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H,17,18)
InChIKey
OTGDJMNGBDKAJV-UHFFFAOYSA-N
Compound name
5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.02258 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.02986 166.8
[M+Na]+ 392.01180 169.7
[M-H]- 368.01530 164.4
[M+NH4]+ 387.05640 177.5
[M+K]+ 407.98574 170.9
[M+H-H2O]+ 352.01984 155.5
[M+HCOO]- 414.02078 183.1
[M+CH3COO]- 428.03643 204.7
[M+Na-2H]- 389.99725 158.0
[M]+ 369.02203 166.2
[M]- 369.02313 166.2
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

No patent data available for this compound.