CID 5495877

3,4-dichloro-n-[(1s)-2-[[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]methylamino]-1-methyl-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C23H25Cl4N3O2
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H25Cl4N3O2/c1-14(29-23(32)17-3-5-19(25)21(27)11-17)22(31)28-12-15-6-8-30(9-7-15)13-16-2-4-18(24)20(26)10-16/h2-5,10-11,14-15H,6-9,12-13H2,1H3,(H,28,31)(H,29,32)/t14-/m0/s1
InChIKey
IBNWTACCTQQWHN-AWEZNQCLSA-N
Compound name
3,4-dichloro-N-[(2S)-1-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.07007 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.07735 214.1
[M+Na]+ 538.05929 218.3
[M-H]- 514.06279 217.6
[M+NH4]+ 533.10389 220.0
[M+K]+ 554.03323 211.4
[M+H-H2O]+ 498.06733 206.5
[M+HCOO]- 560.06827 211.1
[M+CH3COO]- 574.08392 243.0
[M+Na-2H]- 536.04474 208.2
[M]+ 515.06952 214.6
[M]- 515.07062 214.6
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.