CID 9576412

Fenpyroximate

Structural Information

Molecular Formula
C24H27N3O4
SMILES
CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C
InChI
InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+
InChIKey
YYJNOYZRYGDPNH-MFKUBSTISA-N
Compound name
tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

81
References

36175
Patents

421.20016 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.20744 204.2
[M+Na]+ 444.18938 210.8
[M-H]- 420.19288 213.2
[M+NH4]+ 439.23398 213.7
[M+K]+ 460.16332 207.3
[M+H-H2O]+ 404.19742 193.4
[M+HCOO]- 466.19836 225.6
[M+CH3COO]- 480.21401 230.8
[M+Na-2H]- 442.17483 205.0
[M]+ 421.19961 211.4
[M]- 421.20071 211.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.