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]+ 250.143766 156.7
[M+Na]+ 272.125708 162.7
[M-H]- 248.129214 163.3
[M+NH4]+ 267.170313 172.6
[M+K]+ 288.099648 161.9
[M+H-H2O]+ 232.133750 149.7
[M+HCOO]- 294.134691 172.0
[M+CH3COO]- 308.150341 168.2
[M+Na-2H]- 270.111156 159.4
[M]+ 249.13594142 154.7
[M]- 249.13703858 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.