CID 135771902

Chembl232030

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CCC1=C(NC(=O)C(=C1OC2=CC(=CC(=C2)C)C)/C=N/O)C
InChI
InChI=1S/C17H20N2O3/c1-5-14-12(4)19-17(20)15(9-18-21)16(14)22-13-7-10(2)6-11(3)8-13/h6-9,21H,5H2,1-4H3,(H,19,20)/b18-9+
InChIKey
QODOZRUDFORXOW-GIJQJNRQSA-N
Compound name
4-(3,5-dimethylphenoxy)-5-ethyl-3-[(E)-hydroxyiminomethyl]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 170.2
[M+Na]+ 323.13662 180.1
[M-H]- 299.14012 175.5
[M+NH4]+ 318.18122 184.1
[M+K]+ 339.11056 175.2
[M+H-H2O]+ 283.14466 162.0
[M+HCOO]- 345.14560 192.7
[M+CH3COO]- 359.16125 207.5
[M+Na-2H]- 321.12207 172.3
[M]+ 300.14685 173.5
[M]- 300.14795 173.5
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

No patent data available for this compound.