CID 139597984

Fenpyroximate m-20

Structural Information

Molecular Formula
C24H27N3O5
SMILES
CC(C)(C)OC(=O)C1=CC=C(C=C1)CON=CC2=C(N(N=C2CO)C)OC3=CC=CC=C3
InChI
InChI=1S/C24H27N3O5/c1-24(2,3)32-23(29)18-12-10-17(11-13-18)16-30-25-14-20-21(15-28)26-27(4)22(20)31-19-8-6-5-7-9-19/h5-14,28H,15-16H2,1-4H3
InChIKey
YENVNTMCQDGWDP-UHFFFAOYSA-N
Compound name
tert-butyl 4-[[[3-(hydroxymethyl)-1-methyl-5-phenoxypyrazol-4-yl]methylideneamino]oxymethyl]benzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

437.19507 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.202346 206.6
[M+Na]+ 460.184288 212.4
[M-H]- 436.187794 214.2
[M+NH4]+ 455.228893 214.5
[M+K]+ 476.158228 208.9
[M+H-H2O]+ 420.192330 195.9
[M+HCOO]- 482.193271 226.6
[M+CH3COO]- 496.208921 230.6
[M+Na-2H]- 458.169736 207.3
[M]+ 437.19452142 213.2
[M]- 437.19561858 213.2
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.