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]+ 367.08778 185.4
[M+Na]+ 389.06972 191.8
[M-H]- 365.07322 193.6
[M+NH4]+ 384.11432 199.5
[M+K]+ 405.04366 186.0
[M+H-H2O]+ 349.07776 178.5
[M+HCOO]- 411.07870 194.1
[M+CH3COO]- 425.09435 212.8
[M+Na-2H]- 387.05517 180.2
[M]+ 366.07995 184.6
[M]- 366.08105 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.