CID 4225855

2-phenyl-n-(2,2,2-trichloro-1-{[(2,4-dibromo-6-methylanilino)carbothioyl]amino}ethyl)acetamide

Structural Information

Molecular Formula
C18H16Br2Cl3N3OS
SMILES
CC1=CC(=CC(=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2)Br)Br
InChI
InChI=1S/C18H16Br2Cl3N3OS/c1-10-7-12(19)9-13(20)15(10)25-17(28)26-16(18(21,22)23)24-14(27)8-11-5-3-2-4-6-11/h2-7,9,16H,8H2,1H3,(H,24,27)(H2,25,26,28)
InChIKey
XPCPZWUVTPOVLH-UHFFFAOYSA-N
Compound name
2-phenyl-N-[2,2,2-trichloro-1-[(2,4-dibromo-6-methylphenyl)carbamothioylamino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.84467 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.85195 187.9
[M+Na]+ 607.83389 183.1
[M+NH4]+ 602.87849 189.0
[M+K]+ 623.80783 186.8
[M-H]- 583.83739 189.4
[M+Na-2H]- 605.81934 189.0
[M]+ 584.84412 187.3
[M]- 584.84522 187.3
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.