CID 139597085

Fenpyroximate m-2

Structural Information

Molecular Formula
C24H27N3O5
SMILES
CC1=NN(C(=C1/C=N\OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=C(C=C3)O)C
InChI
InChI=1S/C24H27N3O5/c1-16-21(22(27(5)26-16)31-20-12-10-19(28)11-13-20)14-25-30-15-17-6-8-18(9-7-17)23(29)32-24(2,3)4/h6-14,28H,15H2,1-5H3/b25-14-
InChIKey
SIMGLQDPEXXBFP-QFEZKATASA-N
Compound name
tert-butyl 4-[[(Z)-[5-(4-hydroxyphenoxy)-1,3-dimethylpyrazol-4-yl]methylideneamino]oxymethyl]benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

437.19507 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.20235 206.8
[M+Na]+ 460.18429 218.5
[M+NH4]+ 455.22889 210.6
[M+K]+ 476.15823 215.1
[M-H]- 436.18779 209.6
[M+Na-2H]- 458.16974 213.0
[M]+ 437.19452 209.1
[M]- 437.19562 209.1
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.