CID 2887360

3,4,5-trimethoxy-n-(2,2,2-tri-cl-1-((4-morpholinylcarbothioyl)amino)et)benzamide

Structural Information

Molecular Formula
C17H22Cl3N3O5S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N2CCOCC2
InChI
InChI=1S/C17H22Cl3N3O5S/c1-25-11-8-10(9-12(26-2)13(11)27-3)14(24)21-15(17(18,19)20)22-16(29)23-4-6-28-7-5-23/h8-9,15H,4-7H2,1-3H3,(H,21,24)(H,22,29)
InChIKey
RQZMTKFNSXYMJZ-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-[2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.03458 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.04186 208.0
[M+Na]+ 508.02380 216.3
[M+NH4]+ 503.06840 212.3
[M+K]+ 523.99774 210.3
[M-H]- 484.02730 209.6
[M+Na-2H]- 506.00925 209.8
[M]+ 485.03403 210.5
[M]- 485.03513 210.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.