CID 508751

N-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]-3-nitro-benzamide

Structural Information

Molecular Formula
C22H25ClN4O4
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H25ClN4O4/c23-19-6-4-17(5-7-19)15-26-10-8-16(9-11-26)13-24-21(28)14-25-22(29)18-2-1-3-20(12-18)27(30)31/h1-7,12,16H,8-11,13-15H2,(H,24,28)(H,25,29)
InChIKey
MJAITAPTXLMBBK-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.15643 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.16371 203.9
[M+Na]+ 467.14565 204.1
[M-H]- 443.14915 210.1
[M+NH4]+ 462.19025 209.7
[M+K]+ 483.11959 194.8
[M+H-H2O]+ 427.15369 197.9
[M+HCOO]- 489.15463 218.3
[M+CH3COO]- 503.17028 226.6
[M+Na-2H]- 465.13110 205.4
[M]+ 444.15588 200.2
[M]- 444.15698 200.2
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.