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
4
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]+ 305.076826 164.4
[M+Na]+ 327.058768 171.5
[M-H]- 303.062274 166.0
[M+NH4]+ 322.103373 174.5
[M+K]+ 343.032708 168.5
[M+H-H2O]+ 287.066810 155.2
[M+HCOO]- 349.067751 182.8
[M+CH3COO]- 363.083401 195.8
[M+Na-2H]- 325.044216 168.1
[M]+ 304.06900142 166.5
[M]- 304.07009858 166.5
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.