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]+ 305.07683 164.4
[M+Na]+ 327.05877 171.5
[M-H]- 303.06227 166.0
[M+NH4]+ 322.10337 174.5
[M+K]+ 343.03271 168.5
[M+H-H2O]+ 287.06681 155.2
[M+HCOO]- 349.06775 182.8
[M+CH3COO]- 363.08340 195.8
[M+Na-2H]- 325.04422 168.1
[M]+ 304.06900 166.5
[M]- 304.07010 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.