CID 508822

2-amino-3,5-dichloro-n-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C22H25Cl3N4O2
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=C(C(=CC(=C2)Cl)Cl)N)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H25Cl3N4O2/c23-16-3-1-15(2-4-16)13-29-7-5-14(6-8-29)11-27-20(30)12-28-22(31)18-9-17(24)10-19(25)21(18)26/h1-4,9-10,14H,5-8,11-13,26H2,(H,27,30)(H,28,31)
InChIKey
FWIPJRDZSDGVLO-UHFFFAOYSA-N
Compound name
2-amino-3,5-dichloro-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.1043 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.11158 212.2
[M+Na]+ 505.09352 216.7
[M-H]- 481.09702 217.1
[M+NH4]+ 500.13812 219.0
[M+K]+ 521.06746 209.1
[M+H-H2O]+ 465.10156 203.9
[M+HCOO]- 527.10250 216.1
[M+CH3COO]- 541.11815 240.3
[M+Na-2H]- 503.07897 208.3
[M]+ 482.10375 211.7
[M]- 482.10485 211.7
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.