CID 508828

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

Structural Information

Molecular Formula
C22H26ClIN4O2
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=C(C=CC(=C2)I)N)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H26ClIN4O2/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
CRAHQRJJTYINDB-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-5-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.0789 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.08618 217.7
[M+Na]+ 563.06812 213.4
[M-H]- 539.07162 216.5
[M+NH4]+ 558.11272 220.5
[M+K]+ 579.04206 212.8
[M+H-H2O]+ 523.07616 203.7
[M+HCOO]- 585.07710 226.4
[M+CH3COO]- 599.09275 239.8
[M+Na-2H]- 561.05357 203.8
[M]+ 540.07835 211.6
[M]- 540.07945 211.6
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.