CID 139595171

Hexythiazox tp1

Structural Information

Molecular Formula
C17H19ClN2O3S
SMILES
CC1C(SC(=O)N1C(=O)NC2CCC(=O)CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)
InChIKey
GXQFXLCWBNCWQL-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

366.0805 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.087776 185.4
[M+Na]+ 389.069718 191.8
[M-H]- 365.073224 193.6
[M+NH4]+ 384.114323 199.5
[M+K]+ 405.043658 186.0
[M+H-H2O]+ 349.077760 178.5
[M+HCOO]- 411.078701 194.1
[M+CH3COO]- 425.094351 212.8
[M+Na-2H]- 387.055166 180.2
[M]+ 366.07995142 184.6
[M]- 366.08104858 184.6
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

No patent data available for this compound.