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

literature stripe

Patent stripe

patents stripe