CID 508826

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

Structural Information

Molecular Formula
C22H26ClFN4O2
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=C(C=CC(=C2)F)N)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H26ClFN4O2/c23-17-3-1-16(2-4-17)14-28-9-7-15(8-10-28)12-26-21(29)13-27-22(30)19-11-18(24)5-6-20(19)25/h1-6,11,15H,7-10,12-14,25H2,(H,26,29)(H,27,30)
InChIKey
MPFXUAGJAYYFIJ-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-5-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.17282 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.18010 203.5
[M+Na]+ 455.16204 206.7
[M-H]- 431.16554 208.7
[M+NH4]+ 450.20664 211.0
[M+K]+ 471.13598 199.8
[M+H-H2O]+ 415.17008 192.5
[M+HCOO]- 477.17102 216.6
[M+CH3COO]- 491.18667 234.3
[M+Na-2H]- 453.14749 201.3
[M]+ 432.17227 199.2
[M]- 432.17337 199.2
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.