CID 3705350

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

Structural Information

Molecular Formula
C18H16Br2Cl3N3O2S
SMILES
COC1=CC(=C(C(=C1)Br)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2)Br
InChI
InChI=1S/C18H16Br2Cl3N3O2S/c1-28-11-8-12(19)15(13(20)9-11)25-17(29)26-16(18(21,22)23)24-14(27)7-10-5-3-2-4-6-10/h2-6,8-9,16H,7H2,1H3,(H,24,27)(H2,25,26,29)
InChIKey
YUBAIDBILYXONS-UHFFFAOYSA-N
Compound name
2-phenyl-N-[2,2,2-trichloro-1-[(2,6-dibromo-4-methoxyphenyl)carbamothioylamino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

600.83954 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.84682 189.9
[M+Na]+ 623.82876 184.9
[M+NH4]+ 618.87336 190.7
[M+K]+ 639.80270 188.7
[M-H]- 599.83226 191.1
[M+Na-2H]- 621.81421 190.7
[M]+ 600.83899 189.2
[M]- 600.84009 189.2
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.