CID 2843520

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

Structural Information

Molecular Formula
C17H16Cl3N3O3
SMILES
CN(CC1=CC=CC=C1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C17H16Cl3N3O3/c1-22(11-12-7-3-2-4-8-12)16(17(18,19)20)21-15(24)13-9-5-6-10-14(13)23(25)26/h2-10,16H,11H2,1H3,(H,21,24)
InChIKey
OCDLRDGJEPIQQN-UHFFFAOYSA-N
Compound name
N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.02573 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.03301 192.8
[M+Na]+ 438.01495 196.0
[M-H]- 414.01845 197.7
[M+NH4]+ 433.05955 203.0
[M+K]+ 453.98889 187.8
[M+H-H2O]+ 398.02299 191.3
[M+HCOO]- 460.02393 201.5
[M+CH3COO]- 474.03958 220.2
[M+Na-2H]- 436.00040 195.7
[M]+ 415.02518 195.2
[M]- 415.02628 195.2
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.