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 187.2
[M+Na]+ 407.04552 193.0
[M-H]- 383.04902 192.8
[M+NH4]+ 402.09012 200.2
[M+K]+ 423.01946 186.9
[M+H-H2O]+ 367.05356 181.1
[M+HCOO]- 429.05450 194.7
[M+CH3COO]- 443.07015 222.3
[M+Na-2H]- 405.03097 188.4
[M]+ 384.05575 191.2
[M]- 384.05685 191.2
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.