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

35061
Patents

333.1608 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.168076 182.9
[M+Na]+ 356.150018 191.6
[M-H]- 332.153524 187.5
[M+NH4]+ 351.194623 197.2
[M+K]+ 372.123958 185.8
[M+H-H2O]+ 316.158060 175.0
[M+HCOO]- 378.159001 198.2
[M+CH3COO]- 392.174651 213.5
[M+Na-2H]- 354.135466 182.9
[M]+ 333.16025142 187.5
[M]- 333.16134858 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

literature stripe

Patent stripe

patents stripe