CID 4431953

2,2-diphenyl-n-(2,2,2-trichloro-1-(4-chloroanilino)ethyl)acetamide

Structural Information

Molecular Formula
C22H18Cl4N2O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H18Cl4N2O/c23-17-11-13-18(14-12-17)27-21(22(24,25)26)28-20(29)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21,27H,(H,28,29)
InChIKey
XXZZVMYVSGONEA-UHFFFAOYSA-N
Compound name
2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.01733 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.02461 201.8
[M+Na]+ 489.00655 206.3
[M-H]- 465.01005 206.7
[M+NH4]+ 484.05115 210.1
[M+K]+ 504.98049 198.8
[M+H-H2O]+ 449.01459 194.8
[M+HCOO]- 511.01553 202.4
[M+CH3COO]- 525.03118 231.5
[M+Na-2H]- 486.99200 202.0
[M]+ 466.01678 203.3
[M]- 466.01788 203.3
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.