CID 101134236

Tepraloxydim metabolite dp-2

Structural Information

Molecular Formula
C14H19NO3
SMILES
CCC1=NC2=C(O1)CC(CC2=O)C3CCOCC3
InChI
InChI=1S/C14H19NO3/c1-2-13-15-14-11(16)7-10(8-12(14)18-13)9-3-5-17-6-4-9/h9-10H,2-8H2,1H3
InChIKey
GFCKOBHIHSUAFS-UHFFFAOYSA-N
Compound name
2-ethyl-6-(oxan-4-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 157.0
[M+Na]+ 272.12571 168.6
[M+NH4]+ 267.17031 165.4
[M+K]+ 288.09965 164.7
[M-H]- 248.12921 162.6
[M+Na-2H]- 270.11116 160.1
[M]+ 249.13594 160.1
[M]- 249.13704 160.1
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.