CID 3042189

Brn 5202150

Structural Information

Molecular Formula
C29H28Cl3N3O4
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CNC(=O)CN3CCC(CC3)(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C29H28Cl3N3O4/c1-34(25-11-10-21(31)16-23(25)28(38)22-4-2-3-5-24(22)32)27(37)17-33-26(36)18-35-14-12-29(39,13-15-35)19-6-8-20(30)9-7-19/h2-11,16,39H,12-15,17-18H2,1H3,(H,33,36)
InChIKey
RUWLQYZWWICMSG-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetyl]amino]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

587.11456 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.12184 232.4
[M+Na]+ 610.10378 245.7
[M+NH4]+ 605.14838 238.8
[M+K]+ 626.07772 235.6
[M-H]- 586.10728 238.7
[M+Na-2H]- 608.08923 241.0
[M]+ 587.11401 236.9
[M]- 587.11511 236.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.