CID 508960

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

Structural Information

Molecular Formula
C25H28Cl4N4O3
SMILES
C1CN(CCC1CNC(=O)[C@H](CCC(=O)N)NC(=O)C2=CC(=C(C=C2)Cl)Cl)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C25H28Cl4N4O3/c26-18-3-1-16(11-20(18)28)14-33-9-7-15(8-10-33)13-31-25(36)22(5-6-23(30)34)32-24(35)17-2-4-19(27)21(29)12-17/h1-4,11-12,15,22H,5-10,13-14H2,(H2,30,34)(H,31,36)(H,32,35)/t22-/m0/s1
InChIKey
LUIXCNZGZNMNFA-QFIPXVFZSA-N
Compound name
(2S)-2-[(3,4-dichlorobenzoyl)amino]-N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.09155 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.09883 225.8
[M+Na]+ 595.08077 228.2
[M-H]- 571.08427 228.9
[M+NH4]+ 590.12537 228.9
[M+K]+ 611.05471 222.0
[M+H-H2O]+ 555.08881 218.4
[M+HCOO]- 617.08975 222.5
[M+CH3COO]- 631.10540 254.9
[M+Na-2H]- 593.06622 218.2
[M]+ 572.09100 226.1
[M]- 572.09210 226.1
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.