CID 3416305

N-(2,2,2-trichloro-1-(((3,4-dichloroanilino)carbothioyl)amino)et)hexadecanamide

Structural Information

Molecular Formula
C25H38Cl5N3OS
SMILES
CCCCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C25H38Cl5N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(34)32-23(25(28,29)30)33-24(35)31-19-16-17-20(26)21(27)18-19/h16-18,23H,2-15H2,1H3,(H,32,34)(H2,31,33,35)
InChIKey
LFCDYLMWJPOEGD-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-[(3,4-dichlorophenyl)carbamothioylamino]ethyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

603.1178 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.12508 249.7
[M+Na]+ 626.10702 256.1
[M+NH4]+ 621.15162 253.3
[M+K]+ 642.08096 244.9
[M-H]- 602.11052 248.9
[M+Na-2H]- 624.09247 248.6
[M]+ 603.11725 251.6
[M]- 603.11835 251.6
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.