CID 139595720

Azoxystrobin metabolite 10

Structural Information

Molecular Formula
C14H12N2O6
SMILES
COC=C(C1=CC=CC=C1OC2=CC(=O)NC=N2)C(=O)OO
InChI
InChI=1S/C14H12N2O6/c1-20-7-10(14(18)22-19)9-4-2-3-5-11(9)21-13-6-12(17)15-8-16-13/h2-8,19H,1H3,(H,15,16,17)
InChIKey
KFSKUTHWQYERHS-UHFFFAOYSA-N
Compound name
3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-eneperoxoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

304.06955 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07683 166.1
[M+Na]+ 327.05877 177.7
[M+NH4]+ 322.10337 169.7
[M+K]+ 343.03271 174.2
[M-H]- 303.06227 165.4
[M+Na-2H]- 325.04422 171.4
[M]+ 304.06900 167.0
[M]- 304.07010 167.0
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.