CID 114994

Halofenozide

Structural Information

Molecular Formula
C18H19ClN2O2
SMILES
CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13/h4-12H,1-3H3,(H,20,22)
InChIKey
CNKHSLKYRMDDNQ-UHFFFAOYSA-N
Compound name
N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

51
References

28094
Patents

330.1135 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12078 177.7
[M+Na]+ 353.10272 183.3
[M-H]- 329.10622 185.5
[M+NH4]+ 348.14732 192.3
[M+K]+ 369.07666 179.6
[M+H-H2O]+ 313.11076 170.3
[M+HCOO]- 375.11170 196.1
[M+CH3COO]- 389.12735 213.9
[M+Na-2H]- 351.08817 180.9
[M]+ 330.11295 180.3
[M]- 330.11405 180.3
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