CID 3104215

4-methyl-n-{2,2,2-trichloro-1-[(3-pyridinylmethyl)amino]ethyl}benzamide

Structural Information

Molecular Formula
C16H16Cl3N3O
SMILES
CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NCC2=CN=CC=C2
InChI
InChI=1S/C16H16Cl3N3O/c1-11-4-6-13(7-5-11)14(23)22-15(16(17,18)19)21-10-12-3-2-8-20-9-12/h2-9,15,21H,10H2,1H3,(H,22,23)
InChIKey
JWGOOTBOPKMPTK-UHFFFAOYSA-N
Compound name
4-methyl-N-[2,2,2-trichloro-1-(pyridin-3-ylmethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.0359 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.04318 185.6
[M+Na]+ 394.02512 198.6
[M+NH4]+ 389.06972 192.7
[M+K]+ 409.99906 190.5
[M-H]- 370.02862 188.7
[M+Na-2H]- 392.01057 193.2
[M]+ 371.03535 189.1
[M]- 371.03645 189.1
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.