CID 139597037

Fenpyroximate m-12

Structural Information

Molecular Formula
C23H25N3O4
SMILES
CC1=C(C(=NN1)OC2=CC=CC=C2)C=NOCC3=CC=C(C=C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C23H25N3O4/c1-16-20(21(26-25-16)29-19-8-6-5-7-9-19)14-24-28-15-17-10-12-18(13-11-17)22(27)30-23(2,3)4/h5-14H,15H2,1-4H3,(H,25,26)
InChIKey
SCRCMTSBUXKAFA-UHFFFAOYSA-N
Compound name
tert-butyl 4-[[(5-methyl-3-phenoxy-1H-pyrazol-4-yl)methylideneamino]oxymethyl]benzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

407.1845 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19178 199.5
[M+Na]+ 430.17372 205.2
[M-H]- 406.17722 206.9
[M+NH4]+ 425.21832 208.6
[M+K]+ 446.14766 201.1
[M+H-H2O]+ 390.18176 188.9
[M+HCOO]- 452.18270 219.8
[M+CH3COO]- 466.19835 224.3
[M+Na-2H]- 428.15917 201.1
[M]+ 407.18395 204.1
[M]- 407.18505 204.1
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.