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
4
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 156.7
[M+Na]+ 272.12571 162.7
[M-H]- 248.12921 163.3
[M+NH4]+ 267.17031 172.6
[M+K]+ 288.09965 161.9
[M+H-H2O]+ 232.13375 149.7
[M+HCOO]- 294.13469 172.0
[M+CH3COO]- 308.15034 168.2
[M+Na-2H]- 270.11116 159.4
[M]+ 249.13594 154.7
[M]- 249.13704 154.7
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.