CID 509006

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

Structural Information

Molecular Formula
C23H25Cl4N3O3
SMILES
C1CN(CCC1CNC(=O)[C@H](CO)NC(=O)C2=CC(=C(C=C2)Cl)Cl)CC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H25Cl4N3O3/c24-17-3-1-16(19(26)10-17)12-30-7-5-14(6-8-30)11-28-23(33)21(13-31)29-22(32)15-2-4-18(25)20(27)9-15/h1-4,9-10,14,21,31H,5-8,11-13H2,(H,28,33)(H,29,32)/t21-/m0/s1
InChIKey
NNIQDVDIUZKPPR-NRFANRHFSA-N
Compound name
3,4-dichloro-N-[(2S)-1-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.065 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.07228 214.1
[M+Na]+ 554.05422 217.7
[M-H]- 530.05772 216.6
[M+NH4]+ 549.09882 218.8
[M+K]+ 570.02816 211.1
[M+H-H2O]+ 514.06226 207.0
[M+HCOO]- 576.06320 210.1
[M+CH3COO]- 590.07885 243.0
[M+Na-2H]- 552.03967 208.3
[M]+ 531.06445 214.4
[M]- 531.06555 214.4
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.