CID 508758

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

Structural Information

Molecular Formula
C22H24Cl2N4O4
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H24Cl2N4O4/c23-18-4-1-16(2-5-18)14-27-9-7-15(8-10-27)12-25-21(29)13-26-22(30)17-3-6-19(24)20(11-17)28(31)32/h1-6,11,15H,7-10,12-14H2,(H,25,29)(H,26,30)
InChIKey
HGSYWPFELQGPMA-UHFFFAOYSA-N
Compound name
4-chloro-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

478.11746 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.12474 211.2
[M+Na]+ 501.10668 212.4
[M-H]- 477.11018 216.8
[M+NH4]+ 496.15128 216.4
[M+K]+ 517.08062 202.5
[M+H-H2O]+ 461.11472 206.2
[M+HCOO]- 523.11566 220.5
[M+CH3COO]- 537.13131 231.5
[M+Na-2H]- 499.09213 211.0
[M]+ 478.11691 209.6
[M]- 478.11801 209.6
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.