CID 508961

(2s)-n-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-2-[(3,4-dichlorobenzoyl)amino]pentanediamide

Structural Information

Molecular Formula
C25H29Cl3N4O3
SMILES
C1CN(CCC1CNC(=O)[C@H](CCC(=O)N)NC(=O)C2=CC(=C(C=C2)Cl)Cl)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C25H29Cl3N4O3/c26-19-4-1-17(2-5-19)15-32-11-9-16(10-12-32)14-30-25(35)22(7-8-23(29)33)31-24(34)18-3-6-20(27)21(28)13-18/h1-6,13,16,22H,7-12,14-15H2,(H2,29,33)(H,30,35)(H,31,34)/t22-/m0/s1
InChIKey
OVHMFYQTMJDPOG-QFIPXVFZSA-N
Compound name
(2S)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(3,4-dichlorobenzoyl)amino]pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.13055 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.13783 222.5
[M+Na]+ 561.11977 224.3
[M-H]- 537.12327 227.0
[M+NH4]+ 556.16437 226.5
[M+K]+ 577.09371 217.7
[M+H-H2O]+ 521.12781 214.1
[M+HCOO]- 583.12875 224.3
[M+CH3COO]- 597.14440 250.6
[M+Na-2H]- 559.10522 216.5
[M]+ 538.13000 222.6
[M]- 538.13110 222.6
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.