CID 4227851

301816-59-1

Structural Information

Molecular Formula
C17H17Cl3N2O2
SMILES
COC1=CC=CC=C1NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C17H17Cl3N2O2/c1-24-14-10-6-5-9-13(14)21-16(17(18,19)20)22-15(23)11-12-7-3-2-4-8-12/h2-10,16,21H,11H2,1H3,(H,22,23)
InChIKey
WDXZHEINGCYJPS-UHFFFAOYSA-N
Compound name
2-phenyl-N-[2,2,2-trichloro-1-(2-methoxyanilino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

386.03555 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.04283 185.3
[M+Na]+ 409.02477 191.2
[M-H]- 385.02827 189.7
[M+NH4]+ 404.06937 197.6
[M+K]+ 424.99871 184.8
[M+H-H2O]+ 369.03281 179.5
[M+HCOO]- 431.03375 192.9
[M+CH3COO]- 445.04940 218.3
[M+Na-2H]- 407.01022 187.9
[M]+ 386.03500 189.0
[M]- 386.03610 189.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.