CID 5495894

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

Structural Information

Molecular Formula
C23H26Cl3N3O2
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=CC=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H26Cl3N3O2/c1-15(28-23(31)17-6-7-20(25)21(26)12-17)22(30)27-13-16-8-10-29(11-9-16)14-18-4-2-3-5-19(18)24/h2-7,12,15-16H,8-11,13-14H2,1H3,(H,27,30)(H,28,31)/t15-/m0/s1
InChIKey
ONLODZSKFIRCIC-HNNXBMFYSA-N
Compound name
3,4-dichloro-N-[(2S)-1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.10907 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.11635 210.2
[M+Na]+ 504.09829 213.9
[M-H]- 480.10179 215.2
[M+NH4]+ 499.14289 217.2
[M+K]+ 520.07223 206.7
[M+H-H2O]+ 464.10633 201.7
[M+HCOO]- 526.10727 212.5
[M+CH3COO]- 540.12292 238.1
[M+Na-2H]- 502.08374 206.0
[M]+ 481.10852 210.7
[M]- 481.10962 210.7
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.