CID 2843520

324073-64-5

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]+ 416.033006 192.8
[M+Na]+ 438.014948 196.0
[M-H]- 414.018454 197.7
[M+NH4]+ 433.059553 203.0
[M+K]+ 453.988888 187.8
[M+H-H2O]+ 398.022990 191.3
[M+HCOO]- 460.023931 201.5
[M+CH3COO]- 474.039581 220.2
[M+Na-2H]- 436.000396 195.7
[M]+ 415.02518142 195.2
[M]- 415.02627858 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.