CID 10110536

Tolfenpyrad

Structural Information

Molecular Formula
C21H22ClN3O2
SMILES
CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)C)C
InChI
InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)
InChIKey
WPALTCMYPARVNV-UHFFFAOYSA-N
Compound name
4-chloro-5-ethyl-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

31
References

24211
Patents

383.14005 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14733 192.9
[M+Na]+ 406.12927 201.8
[M-H]- 382.13277 200.6
[M+NH4]+ 401.17387 204.6
[M+K]+ 422.10321 195.0
[M+H-H2O]+ 366.13731 182.9
[M+HCOO]- 428.13825 210.3
[M+CH3COO]- 442.15390 221.7
[M+Na-2H]- 404.11472 192.2
[M]+ 383.13950 198.5
[M]- 383.14060 198.5
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