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]+ 408.191776 199.5
[M+Na]+ 430.173718 205.2
[M-H]- 406.177224 206.9
[M+NH4]+ 425.218323 208.6
[M+K]+ 446.147658 201.1
[M+H-H2O]+ 390.181760 188.9
[M+HCOO]- 452.182701 219.8
[M+CH3COO]- 466.198351 224.3
[M+Na-2H]- 428.159166 201.1
[M]+ 407.18395142 204.1
[M]- 407.18504858 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.