CID 91754

Pyridaben

Structural Information

Molecular Formula
C19H25ClN2OS
SMILES
CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl
InChI
InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3
InChIKey
DWFZBUWUXWZWKD-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

139
References

36383
Patents

364.1376 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14488 186.8
[M+Na]+ 387.12682 196.7
[M-H]- 363.13032 191.6
[M+NH4]+ 382.17142 199.2
[M+K]+ 403.10076 189.9
[M+H-H2O]+ 347.13486 179.1
[M+HCOO]- 409.13580 194.4
[M+CH3COO]- 423.15145 214.9
[M+Na-2H]- 385.11227 187.7
[M]+ 364.13705 193.7
[M]- 364.13815 193.7
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