CID 508997

Benzamide, n-[(1s)-2-[[[1-[(3,4-dichlorophenyl)methyl]-4-piperidinyl]methyl]amino]-1-methyl-2-oxoethyl]-2-hydroxy-

Structural Information

Molecular Formula
C23H27Cl2N3O3
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C23H27Cl2N3O3/c1-15(27-23(31)18-4-2-3-5-21(18)29)22(30)26-13-16-8-10-28(11-9-16)14-17-6-7-19(24)20(25)12-17/h2-7,12,15-16,29H,8-11,13-14H2,1H3,(H,26,30)(H,27,31)/t15-/m0/s1
InChIKey
MXILUDRFTDDBOF-HNNXBMFYSA-N
Compound name
N-[(2S)-1-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.14294 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.15022 207.6
[M+Na]+ 486.13216 210.6
[M-H]- 462.13566 212.7
[M+NH4]+ 481.17676 214.3
[M+K]+ 502.10610 203.9
[M+H-H2O]+ 446.14020 198.8
[M+HCOO]- 508.14114 213.9
[M+CH3COO]- 522.15679 234.4
[M+Na-2H]- 484.11761 204.1
[M]+ 463.14239 207.0
[M]- 463.14349 207.0
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.