CID 4610950

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

Structural Information

Molecular Formula
C22H18Cl3IN2O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)NC3=CC=C(C=C3)I
InChI
InChI=1S/C22H18Cl3IN2O/c23-22(24,25)21(27-18-13-11-17(26)12-14-18)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
BFNWWOURRWXXCO-UHFFFAOYSA-N
Compound name
2,2-diphenyl-N-[2,2,2-trichloro-1-(4-iodoanilino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.95294 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.96022 210.8
[M+Na]+ 580.94216 208.5
[M-H]- 556.94566 210.1
[M+NH4]+ 575.98676 215.4
[M+K]+ 596.91610 206.5
[M+H-H2O]+ 540.95020 199.4
[M+HCOO]- 602.95114 212.3
[M+CH3COO]- 616.96679 235.2
[M+Na-2H]- 578.92761 200.8
[M]+ 557.95239 209.6
[M]- 557.95349 209.6
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.