CID 4455550

2-phenyl-n-(2,2,2-trichloro-1-((4-sulfamoylphenyl)amino)ethyl)acetamide

Structural Information

Molecular Formula
C16H16Cl3N3O3S
SMILES
C1=CC=C(C=C1)CC(=O)NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C16H16Cl3N3O3S/c17-16(18,19)15(22-14(23)10-11-4-2-1-3-5-11)21-12-6-8-13(9-7-12)26(20,24)25/h1-9,15,21H,10H2,(H,22,23)(H2,20,24,25)
InChIKey
INIBAVFANZKYGZ-UHFFFAOYSA-N
Compound name
2-phenyl-N-[2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.9978 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.00508 199.5
[M+Na]+ 457.98702 209.2
[M+NH4]+ 453.03162 205.1
[M+K]+ 473.96096 201.6
[M-H]- 433.99052 201.5
[M+Na-2H]- 455.97247 205.1
[M]+ 434.99725 202.5
[M]- 434.99835 202.5
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.