CID 101126861

(z)-fenpyroximate (free acid)

Structural Information

Molecular Formula
C20H19N3O4
SMILES
CC1=NN(C(=C1/C=N\OCC2=CC=C(C=C2)C(=O)O)OC3=CC=CC=C3)C
InChI
InChI=1S/C20H19N3O4/c1-14-18(19(23(2)22-14)27-17-6-4-3-5-7-17)12-21-26-13-15-8-10-16(11-9-15)20(24)25/h3-12H,13H2,1-2H3,(H,24,25)/b21-12-
InChIKey
ZGSVZVKVXOZKSG-MTJSOVHGSA-N
Compound name
4-[[(Z)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

22
Patents

365.13754 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14482 185.3
[M+Na]+ 388.12676 192.8
[M-H]- 364.13026 193.2
[M+NH4]+ 383.17136 196.1
[M+K]+ 404.10070 188.6
[M+H-H2O]+ 348.13480 174.7
[M+HCOO]- 410.13574 208.2
[M+CH3COO]- 424.15139 217.6
[M+Na-2H]- 386.11221 186.7
[M]+ 365.13699 189.9
[M]- 365.13809 189.9
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