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 191.7
[M+Na]+ 457.98702 197.1
[M-H]- 433.99052 196.4
[M+NH4]+ 453.03162 201.9
[M+K]+ 473.96096 190.6
[M+H-H2O]+ 417.99506 186.8
[M+HCOO]- 479.99600 194.2
[M+CH3COO]- 494.01165 224.4
[M+Na-2H]- 455.97247 194.1
[M]+ 434.99725 194.8
[M]- 434.99835 194.8
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.