CID 3104216

N-{1-[benzyl(methyl)amino]-2,2,2-trichloroethyl}-4-methylbenzamide

Structural Information

Molecular Formula
C18H19Cl3N2O
SMILES
CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)N(C)CC2=CC=CC=C2
InChI
InChI=1S/C18H19Cl3N2O/c1-13-8-10-15(11-9-13)16(24)22-17(18(19,20)21)23(2)12-14-6-4-3-5-7-14/h3-11,17H,12H2,1-2H3,(H,22,24)
InChIKey
ZGCTYGCYACCXTO-UHFFFAOYSA-N
Compound name
N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0563 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06358 190.7
[M+Na]+ 407.04552 203.8
[M+NH4]+ 402.09012 198.6
[M+K]+ 423.01946 195.4
[M-H]- 383.04902 194.9
[M+Na-2H]- 405.03097 198.5
[M]+ 384.05575 194.7
[M]- 384.05685 194.7
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.