CID 4109111

2-phenyl-n-(2,2,2-trichloro-1-(p-tolylamino)ethyl)acetamide

Structural Information

Molecular Formula
C17H17Cl3N2O
SMILES
CC1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C17H17Cl3N2O/c1-12-7-9-14(10-8-12)21-16(17(18,19)20)22-15(23)11-13-5-3-2-4-6-13/h2-10,16,21H,11H2,1H3,(H,22,23)
InChIKey
QQQDGXMTSKIYGN-UHFFFAOYSA-N
Compound name
2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

370.04065 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.04793 183.3
[M+Na]+ 393.02987 189.3
[M-H]- 369.03337 187.6
[M+NH4]+ 388.07447 196.2
[M+K]+ 409.00381 182.2
[M+H-H2O]+ 353.03791 177.5
[M+HCOO]- 415.03885 190.6
[M+CH3COO]- 429.05450 216.3
[M+Na-2H]- 391.01532 185.6
[M]+ 370.04010 185.6
[M]- 370.04120 185.6
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.