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 181.7
[M+Na]+ 394.02512 187.9
[M-H]- 370.02862 184.7
[M+NH4]+ 389.06972 193.2
[M+K]+ 409.99906 181.1
[M+H-H2O]+ 354.03316 174.8
[M+HCOO]- 416.03410 187.9
[M+CH3COO]- 430.04975 216.0
[M+Na-2H]- 392.01057 184.9
[M]+ 371.03535 183.8
[M]- 371.03645 183.8
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.