CID 4383876

4-methyl-n-[2,2,2-trichloro-1-(diethylamino)ethyl]benzamide

Structural Information

Molecular Formula
C14H19Cl3N2O
SMILES
CCN(CC)C(C(Cl)(Cl)Cl)NC(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C14H19Cl3N2O/c1-4-19(5-2)13(14(15,16)17)18-12(20)11-8-6-10(3)7-9-11/h6-9,13H,4-5H2,1-3H3,(H,18,20)
InChIKey
OFJVEPHHORNMNM-UHFFFAOYSA-N
Compound name
4-methyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0563 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06358 176.1
[M+Na]+ 359.04552 182.3
[M-H]- 335.04902 179.1
[M+NH4]+ 354.09012 191.5
[M+K]+ 375.01946 177.2
[M+H-H2O]+ 319.05356 171.8
[M+HCOO]- 381.05450 183.6
[M+CH3COO]- 395.07015 215.2
[M+Na-2H]- 357.03097 176.7
[M]+ 336.05575 180.4
[M]- 336.05685 180.4
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.