CID 86354

Tebufenpyrad

Structural Information

Molecular Formula
C18H24ClN3O
SMILES
CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)C(C)(C)C)C
InChI
InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)
InChIKey
ZZYSLNWGKKDOML-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

45
References

34839
Patents

333.1608 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16808 182.9
[M+Na]+ 356.15002 191.6
[M-H]- 332.15352 187.5
[M+NH4]+ 351.19462 197.2
[M+K]+ 372.12396 185.8
[M+H-H2O]+ 316.15806 175.0
[M+HCOO]- 378.15900 198.2
[M+CH3COO]- 392.17465 213.5
[M+Na-2H]- 354.13547 182.9
[M]+ 333.16025 187.5
[M]- 333.16135 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.