CID 508963

(2s)-2-[[2-amino-5-(trifluoromethyl)benzoyl]amino]-n-[[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]methyl]pentanediamide

Structural Information

Molecular Formula
C26H30Cl2F3N5O3
SMILES
C1CN(CCC1CNC(=O)[C@H](CCC(=O)N)NC(=O)C2=C(C=CC(=C2)C(F)(F)F)N)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C26H30Cl2F3N5O3/c27-19-3-1-16(11-20(19)28)14-36-9-7-15(8-10-36)13-34-25(39)22(5-6-23(33)37)35-24(38)18-12-17(26(29,30)31)2-4-21(18)32/h1-4,11-12,15,22H,5-10,13-14,32H2,(H2,33,37)(H,34,39)(H,35,38)/t22-/m0/s1
InChIKey
PEVUJUZOXXFLJG-QFIPXVFZSA-N
Compound name
(2S)-2-[[2-amino-5-(trifluoromethyl)benzoyl]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

587.1678 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.17508 233.3
[M+Na]+ 610.15702 235.3
[M-H]- 586.16052 235.0
[M+NH4]+ 605.20162 234.8
[M+K]+ 626.13096 228.6
[M+H-H2O]+ 570.16506 222.1
[M+HCOO]- 632.16600 235.9
[M+CH3COO]- 646.18165 263.6
[M+Na-2H]- 608.14247 226.3
[M]+ 587.16725 228.6
[M]- 587.16835 228.6
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.