CID 3436697

3,4,5-trimethoxy-n(2,2,2-tri-cl-1-(4,5-dihydro-1,3-thiazol-2-ylthio)et)benzamide

Structural Information

Molecular Formula
C15H17Cl3N2O4S2
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC(C(Cl)(Cl)Cl)SC2=NCCS2
InChI
InChI=1S/C15H17Cl3N2O4S2/c1-22-9-6-8(7-10(23-2)11(9)24-3)12(21)20-13(15(16,17)18)26-14-19-4-5-25-14/h6-7,13H,4-5H2,1-3H3,(H,20,21)
InChIKey
GARUZHOZSQBLCS-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

457.96954 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.97682 194.9
[M+Na]+ 480.95876 201.5
[M-H]- 456.96226 199.5
[M+NH4]+ 476.00336 206.5
[M+K]+ 496.93270 196.5
[M+H-H2O]+ 440.96680 190.9
[M+HCOO]- 502.96774 190.7
[M+CH3COO]- 516.98339 223.2
[M+Na-2H]- 478.94421 191.7
[M]+ 457.96899 203.5
[M]- 457.97009 203.5
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.