CID 13218777

Hexythiazox

Structural Information

Molecular Formula
C17H21ClN2O2S
SMILES
C[C@H]1[C@@H](SC(=O)N1C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1
InChIKey
XGWIJUOSCAQSSV-XHDPSFHLSA-N
Compound name
(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

46
References

34117
Patents

352.10123 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.108506 183.2
[M+Na]+ 375.090448 188.7
[M-H]- 351.093954 190.9
[M+NH4]+ 370.135053 197.7
[M+K]+ 391.064388 182.8
[M+H-H2O]+ 335.098490 176.0
[M+HCOO]- 397.099431 191.5
[M+CH3COO]- 411.115081 210.1
[M+Na-2H]- 373.075896 178.3
[M]+ 352.10068142 181.2
[M]- 352.10177858 181.2
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